2,6-Octadienal, 3,7-dimethyl-, (E)-


Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil502.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap62.5kJ/molGCHoskovec, Grygarová, et al., 2005Based on data from 343. to 453. K.; AC
Δvap61.kJ/molAStephenson and Malanowski, 1987Based on data from 283. to 333. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
391.70.027Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
54.9388.AStephenson and Malanowski, 1987Based on data from 373. to 501. K.; AC

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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 159020

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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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPB-1130.1250.Engewald, Knobloch, et al., 1991Column length: 42. m; Column diameter: 0.32 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Sil PONA GB1249.Cunicao, Lopes, et al., 2007100. m/0.25 mm/0.25 μm, He, 140. C @ 10. min, 5. K/min, 230. C @ 25. min
CapillaryEquity-51287.Rocha, Coelho, et al., 200760. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51271.Wang, Finn, et al., 200530. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryDB-51270.Beaulieu and Grimm, 200130. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1733.Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryDB-Wax1714.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax1731.Cha, Kim, et al., 199860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1718.Guillot, Peytavi, et al., 200630. m/0.25 mm/0.25 μm, He; Program: 60C => 5C/min => 200C => 6C/min => 250C(5min)
CapillaryStabilwax1729.Wang, Finn, et al., 200530. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryStabilwax1725.Wang, Finn, et al., 200530. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51269.Bertuzzi, Tirillini, et al., 201330. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 4. K/min, 300. C @ 15. min
CapillaryRTX-5 MS1278.Pinheiro, de Queiros, et al., 2013Helium, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillaryRTX-11244.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C
CapillaryDB-51277.Boukhris, Bouaziz, et al., 201230. m/0.25 mm/0.25 μm, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min
CapillaryHP-5 MS1269.Fanaro, Duarte, et al., 201230. m/0.25 mm/0.25 μm, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min
CapillaryCP-Sil 5 CB1268.Ameen, Usman, et al., 201125. m/0.25 mm/0.15 μm, Helium; Tstart: 50. C; Tend: 220. C
CapillarySE-30 MS1275.Menichini, Tundis, et al., 201130. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 250. C @ 10. min
CapillaryHP-5 MS1269.Miyazawa, Marumoto, et al., 201130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryDB-5 MS1271.Mesa-Arango, Betancur-Galvis, et al., 201060. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min
CapillaryDB-5 MS1279.Mesa-Arango, Betancur-Galvis, et al., 201060. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min
CapillaryBP-11244.Mishra, Chaudhary, et al., 2010Nitrogen, 60. C @ 10. min, 5. K/min, 220. C @ 30. min
CapillaryHP-5 MS1273.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-1-MS1241.Takeoka, Hobbs, et al., 201060. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min
CapillaryCP Sil 5 CB1268.Usman, Zubair, et al., 201025. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-11246.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryZB-51218.Gardini, Beletti, et al., 200930. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 1. min; Tstart: 50. C
CapillaryDB-51267.Ho, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryDB-5 MS1267.Koba, Sanda, et al., 200930. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryHP-51270.Maridass, 200925. m/0.20 mm/0.33 μm, Helium, 3. K/min, 240. C @ 7. min; Tstart: 60. C
CapillaryBP-11249.Ottavioli, Bighelli, et al., 200950. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-51270.Saeidnia and Hadjiakhoondi, 200830. m/0.25 mm/0.25 μm, Nitrogen, 100. C @ 1. min, 5. K/min, 200. C @ 15. min
CapillaryDBP-51236.Heravi and Sereshti, 200725. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min
CapillaryFSOT-RSL-2001267.Jirovetz, Eller, et al., 200630. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryOV-1011260.Lattoo, Dhar, et al., 200625. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 100. C; Tend: 250. C
CapillaryDB-11223.Sawamura, Sou, et al., 200460. m/0.25 mm/0.25 μm, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C
CapillaryMPS-51268.Nakahara, Alzoreky, et al., 200370. C @ 2. min, 5. K/min; Tend: 180. C
CapillaryDB-11252.Nishimura, 199560. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 210. C
CapillarySE-301252.Peacock and Kuneman, 1985N2, 45. C @ 1. min, 4. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-5 MS1270.Pinheiro, de Queiros, et al., 2013Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryDB-11240.Albano, Lima, et al., 201230. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryRTX-11239.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1268.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1273.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySiloxane, 5 % Ph1275.VOC BinBase, 2012Program: not specified
CapillaryDB-51268.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)
CapillaryHP-5 MS1270.Nance and Setzer, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillaryHP-5 MS1271.Payo, Colo, et al., 2011Program: not specified
CapillaryHP-5 MS1271.Payo, Colo, et al., 2011Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1275.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryHP-51267.Wang, Liu, et al., 201130. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
CapillaryDB-51270.Nezhadali and Parsa, 201030. m/0.20 mm/0.32 μm, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min)
CapillaryDB-1-MS1241.Takeoka, Hobbs, et al., 201060. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-11262.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51265.Custer, 200925. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
CapillaryHP-51264.Custer, 200925. m/0.32 mm/0.17 μm, Helium; Program: not specified
CapillaryDB-51272.Yang, Yang, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min)
CapillaryDB-51270.Beaulieu and Lancaster, 200730. m/0.25 mm/0.25 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)
Capillary5 % Phenyl methyl siloxane1272.Beaulieu J.C. and Lea J.M., 200630. m/0.25 mm/0.75 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)
CapillaryDB-11249.Nishimura, 199560. m/0.32 mm/0.25 μm, He; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201730.Mishra, Chaudhary, et al., 2010Nitrogen, 5. K/min; Tstart: 60. C; Tend: 200. C
CapillaryBP-201743.Ottavioli, Bighelli, et al., 200950. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1737.Lattoo, Dhar, et al., 200625. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 100. C; Tend: 250. C
CapillaryDB-Wax1721.Lee, Umano, et al., 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax1744.Sawamura, Sou, et al., 200460. m/0.25 mm/0.25 μm, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C
CapillaryDB-Wax1726.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelco CO Wax-101738.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)
CapillarySupelco CO Wax-101741.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryCP-Wax 52 CB1735.Genisheva and Oliveira, 200950. m/0.25 mm/0.20 μm, Helium; Program: 60 0C (5 min) 3 0C/min -> 250 0C (20 min) 1 0C/min -> 255 0C

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]

Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír, Determining the vapour pressures of plant volatiles from gas chromatographic retention data, Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V., A Novel Method for Terpene Pattern Determination of Essential Oils by Selectivity Tuning in GC, Fresenius' J. Anal. Chem., 1991, 341, 10, 641-643, https://doi.org/10.1007/BF00322279 . [all data]

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Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G., Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae), J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021 . [all data]

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Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

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Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

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Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

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Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

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Bertuzzi, G.; Tirillini, B.; Angelini, P.; Venanzoni, R., Antioxidative action of Citrus limonum essential oil on scin, Eur. J. Medicinal Plants, 2013, 3, 1, 1-9, https://doi.org/10.9734/EJMP/2013/1987 . [all data]

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Pinheiro, P.F.; de Queiros, V.T.; Rondelli, V.M.; Costa, A.V.; MArcelino, T. deP.; Pratissoli, D., Insecticidal activity of citronells grass essential oil on Frankliniella schultzei and Myzus persicae, Cienc. Agrotec. Lavras, 2013, 37, 2, 138-144, https://doi.org/10.1590/S1413-70542013000200004 . [all data]

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Boukhris, M.; Bouaziz, M.; Feki, I.; Jemai, H.; El Feki, A.; Sayadi, S., Hypoglycemic and antioxidant effects of leaf essential oil of Pelargonium graveolens L'Her. in alloxan induced diabetic rats, Lipids in Health and Disease, 2012, 11, 1, 1-10, https://doi.org/10.1186/1476-511X-11-81 . [all data]

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Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H., Evaluation of γ-radiation on oolong tea odor volatiles, Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061 . [all data]

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Ameen, O.M.; Usman, L.A.; Oganija, F.S.; Hamid, A.A.; Muhammed, N.O.; Zubair, M.F.; Adebayo, S.A., Chemical composition of leaf essential oil of Annona senegalensis Pers. (Annonaceae) growing in North Central Nigeria, Int. J. Biol. Chem. Sci., 2011, 5, 1, 375-379. [all data]

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Menichini, F.; Tundis, R.; Bonesi, M.; de Cindio, B.; Loizzo, M.R.; Conforti, F.; Statti, G.A.; Menabeni, R.; Bettini, R.; Menichini, F., Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction, Nat. Prod. Res., 2011, 25, 8, 789-799, https://doi.org/10.1080/14786410902900085 . [all data]

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Usman, L.A.; Zubair, M.F.; Adabayo, S.A.; Oladosu, I.A.; Muhammad, N.O.; Akolade, J.O., Chemical composition of leaf and fruit essential oils of Hoslundia opposita Vahl grown in Nigeria, Americal-Eurasian J. Agric. Environ. Sci., 2010, 8, 1, 40-43. [all data]

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Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

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Gardini, F.; Beletti, N.; Ndagikimana, M.; Guerzoni, M.E.; Tchoumbougnang, F.; Zollo, P.H.A.; Micci, C.; Lanciotti, R.; Kamdem, S.L.S., Composition of four essential oils obtained from plants from Cameroon, and their bactericidal and bacteriostatic activity against Listeria Monocytogenes, Salmonella enteritidis and Staphyllococcus aureus, African J. Microbiol. Res., 2009, 3, 5, 264-271. [all data]

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Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C., Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta, Journal title only in Chinese, 2009, 31, 2, 77-96. [all data]

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Koba, K.; Sanda, K.; Guyon, C.; Raynaud, C.; Chaumont, J.-P.; Nicod, L., In vitro cytotoxic activity of Cymbopogon citratus L. and Cymbopogon nardus L. essential oils from Togo, J. Bangladesh Pharmacological Soc., 2009, 4, 29-34. [all data]

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Notes

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