Cyclohexanol, 1-methyl-4-(1-methylethenyl)-


Phase change data

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference
363.20.013Weast and Grasselli, 1989

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin G.BRAMMER,UNIVERSITY OF TEXAS
NIST MS number 43961

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30160.1156.Hedin, Thompson, et al., 1972N2, Chromosorb W; Column length: 6.145 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-11130.Rajeswara Rao, 200125. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 220. C
CapillaryMethyl Silicone1138.Adegoke, Rao, et al., 199830. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min
CapillarySE-301153.Jantan, Ahmad, et al., 1996N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryDB-51188.Loayza, Abujder, et al., 199540. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m
CapillaryMethyl Silicone1155.0Rao, Rajanikanth, et al., 19894. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; Tstart: 70. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1179.Estevez, Ventanas, et al., 200530. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryRSL-2001173.Ngassoum, Ousmaila, et al., 200430. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryHP-51145.Siegmund, Derler, et al., 200430. m/0.25 mm/1. μm, -30. C @ 1. min, 10. K/min; Tend: 250. C
CapillarySPB-11127.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 μm, 35. C @ 10. min, 4. K/min; Tend: 225. C
CapillaryDB-51159.Högnadóttir and Rouseff, 200330. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryHP-51143.Isidorov, Vinogorova, et al., 200325. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C
CapillarySPB-11127.Chisholm, Wilson, et al., 200115. m/0.25 mm/0.25 μm, 35. C @ 3. min, 6. K/min, 225. C @ 10. min
CapillaryMethyl Silicone1142.Sumathykutty, Rao, et al., 199950. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-Wax1625.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillarySupelcowax1646.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 μm, 35. C @ 5. min, 4. K/min, 225. C @ 10. min
CapillaryCarbowax 20M1640.Chen, Kuo, et al., 1986He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5 MS1153.Patil, Jayaprakasha, et al., 200960. m/0.25 mm/0.25 μm, Helium, 40. C @ 12. min, 2. K/min, 330. C @ 30. min
CapillaryCP Sil 5 CB1133.Baran, von Reuss, et al., 200730. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C
CapillaryHP-51153.Wang, Yang, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryPE-51155.Singh, Raina, et al., 200530. m/0.32 mm/0.25 μm, H2, 60. C @ 2. min, 5. K/min, 230. C @ 4. min
CapillaryRSL-2001135.Jirovetz, Buchbauer, et al., 200330. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryDB-11134.Cimanga, Apers, et al., 200260. m/0.32 mm/0.25 μm, He, 50. C @ 6. min, 3. K/min; Tend: 200. C
CapillaryOV-1011124.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryOV-1011134.Menon, Chacko, et al., 1999N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillaryDB-11129.Palá-Paúl, Pérez-Alonso, et al., 199950. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 240. C
CapillaryOV-1011132.Tropnikova, Zenkevich, et al., 1999Nitrogen, 60. C @ 0. min, 4. K/min, 220. C @ 0. min; Column length: 25. m; Column diameter: 0.20 mm
CapillaryMethyl Silicone1156.Gopalakrishnan, Menon, et al., 199350. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C
CapillaryMethyl Silicone1154.Gopalakrishnan, Menon, et al., 199350. m/0.25 mm/0.17 μm, N2, 3. K/min; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011136.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryOV-1011137.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011132.Yang and Sugisawa, 1990N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011135.Yang and Sugisawa, 1990N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011137.Sugisawa, Yamamoto, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011132.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011135.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-11160.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryDB-11157.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C
CapillarySE-30+Igepal1123.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillarySE-30+Igepal1157.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51162.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryCB-11122.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)
CapillaryCB-11137.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51149.Qiao, Xie, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)
CapillaryHP-51159.Qiao, Xie, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51147.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51143.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryCP-Sil5 CB MS1143.Iraqi, Vermeulen, et al., 200550. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillaryCP Sil 8 CB1187.Mockutë, Bernotienë, et al., 2004He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50 0C (2 min) 3 0C/min -> 180 0C (1 min) 20 0C/min -> 250 0C (2 min)
CapillaryDB-51144.Isidorov, Zenkevich, et al., 1997Program: not specified
CapillaryPolydimethyl siloxanes1132.Zenkevich, 1997Program: not specified
CapillaryPolydimethyl siloxanes1154.Zenkevich, 1997Program: not specified
CapillaryOV-1011137.Shibamoto, 1987Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1156.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB1624.Chen, Chyau, et al., 200760. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-Wax1616.Berlinet, Brat, et al., 200630. m/0.25 mm/0.25 μm, Helium, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryCP-Wax1615.Ka, Choi, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min; Tend: 180. C
CapillarySupelcowax-101629.Korány, Mednyánszky, et al., 200060. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-Wax1641.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax1616.Menon, Chacko, et al., 1999N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillaryCarbowax 20M1666.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1667.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
PackedCarbowax 20M1622.Stancher and Pertoldi, 1967Hydrogen, Gas-Chrom Z (80-100 mesh), 4. K/min; Column length: 2. m; Tstart: 65. C; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1631.Selli, 200730. m/0.32 mm/0.50 μm, Hydrogen; Program: 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min)
CapillaryDB-Wax1616.Berlinet, Ducruet, et al., 200530. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryDB-Wax1620.Selli, Cabaroglu, et al., 200330. m/0.32 mm/0.5 μm, He; Program: 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min)
CapillaryCarbowax 20M1632.Shibamoto, 1987Program: not specified

References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Hedin, Thompson, et al., 1972
Hedin, P.A.; Thompson, A.C.; Gueldner, R.C., Application of a Sequential Reduction Regimen to Fractionation of Essential Oils, Anal. Chem., 1972, 44, 7, 1254-1257, https://doi.org/10.1021/ac60315a030 . [all data]

Rajeswara Rao, 2001
Rajeswara Rao, B.R., Biomass and essential oil yields of rainfed palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.) supplied with different levels of organic manure and fertilizer nitrogen in semi-arid tropical climate, Ind. Crops Prod., 2001, 14, 3, 171-178, https://doi.org/10.1016/S0926-6690(01)00081-4 . [all data]

Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B., A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb, Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O . [all data]

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Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N., Chemical composition of some citrus oils from Malaysia, J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030 . [all data]

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Rao, A.S.; Rajanikanth, B.; Seshadri, R., Volatile aroma components of Curcuma amada Roxb., J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036 . [all data]

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Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

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Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.; Jell, J.A.; Cass, D.M., Jr., Chapter 9. The identification of aroma compounds in key lime oil using solid-phase microextraction and gas chromatography-olfactometry, Am. Chem. Soc. Symp. Ser., 2001, 782, 100-112. [all data]

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Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S., Essential oil constituents of some Piper species, Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0 . [all data]

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Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M., Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.), J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038 . [all data]

Patil, Jayaprakasha, et al., 2009
Patil, J.R.; Jayaprakasha, G.K.; Murthy, K.N.C.; Tichy, S.E.; Chetti, M.B.; Patil, B.S., Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus auratifolia, Food Chem., 2009, 114, 4, 1351-1358, https://doi.org/10.1016/j.foodchem.2008.11.033 . [all data]

Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D., Composition of the essential oil of Abies koreana Wils., Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762 . [all data]

Wang, Yang, et al., 2006
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Singh, A.K.; Raina, V.K.; Naqvi, A.A.; Patra, N.K.; Kumar, B.; Ram, P.; Khanuja, S.P.S., Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f. piperascens Malinvaud ex. Holmes) cultivars, Flavour Fragr. J., 2005, 20, 3, 302-305, https://doi.org/10.1002/ffj.1417 . [all data]

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Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K., Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India, Acta Pharm. Hung., 2003, 53, 73-81. [all data]

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Cimanga, K.; Apers, S.; de Bruyne, T.; van Miert, S.; Hermans, N.; Totté, J.; Pieters, L.; Vlietinck, A.J., Chemical composition and antifungal activity of essential oils of some aromatic medicinal plants growing in the democratic republic of Congo, J. Essent. Oil Res., 2002, 14, 5, 382-387, https://doi.org/10.1080/10412905.2002.9699894 . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A . [all data]

Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J., Essential oil of Santolina rosmarinifolia L. ssp. rosmarinifolia: first isolation of capillene, a diacetylene derivative, Flavour Fragr. J., 1999, 14, 2, 131-134, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<131::AID-FFJ794>3.0.CO;2-7 . [all data]

Tropnikova, Zenkevich, et al., 1999
Tropnikova, I.V.; Zenkevich, I.G.; Budantsev, A.L., Composition of Essential Oil Nepeta cataria L. var. Citriodora Beck and Features of its Determination, Rastit. Resursy (Rus.), 1999, 2, 64-69. [all data]

Gopalakrishnan, Menon, et al., 1993
Gopalakrishnan, M.; Menon, N.; Padmakumari, K.P.; Jayalekshmy, A.; Narayanan, C.S., GC Analysis and Odor Profiles of Four New Indian Genotypes of Piper nigrum L., J. Essent. Oil Res., 1993, 5, 3, 247-253, https://doi.org/10.1080/10412905.1993.9698217 . [all data]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [all data]

Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H., Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice, Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946 . [all data]

Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N., The comparison of volatile components in peel oil from four species of navel orange, Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455 . [all data]

Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H., Volatile constituents in the peel oil of sudachi (Citrus sudachi), Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721 . [all data]

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Notes

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