Tasmanone

Formula: C₁₄H₂₀O₄
Molecular weight: 252.3062
IUPAC Standard InChI: InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
IUPAC Standard InChIKey: WZXQWLWGLWIQGK-UHFFFAOYSA-N
CAS Registry Number: 22595-52-4
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas Chromatography

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

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

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1698.	Tam, Thuam, et al., 2004	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2288.	Tam, Thuam, et al., 2004	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1998	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997, 2	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997, 3	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997, 4	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997, 5	25. m/0.33 mm/0.5 μm, 5. K/min; T_start: 80. C; T_end: 220. C
Capillary	BP-20	2303.	Bignell, Dunlop, et al., 1997, 6	25. m/0.33 mm/0.5 μm, H2, 5. K/min; T_start: 80. C; T_end: 220. C

References

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Tam, Thuam, et al., 2004
Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J., Baeckea frutescens leaf oil from Vietnam: composition and chemical variability, Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281 . [all data]

Bignell, Dunlop, et al., 1998
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series 1). Part XIX, Flavour Fragr. J., 1998, 13, 2, 131-139, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<131::AID-FFJ710>3.0.CO;2-X . [all data]

Bignell, Dunlop, et al., 1997
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J.; Fookes, C.J.R., Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series I). Part XIV: Subgenus Monocalyptus, Flavour Fragr. J., 1997, 12, 3, 177-183, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<177::AID-FFJ626>3.0.CO;2-9 . [all data]

Bignell, Dunlop, et al., 1997, 2
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series I). Part XV: Subgenus symphyomyrtus, section bisectaria, series levispermae, Flavour Fragr. J., 1997, 12, 3, 185-193, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<185::AID-FFJ627>3.0.CO;2-B . [all data]

Bignell, Dunlop, et al., 1997, 3
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series I). Part XVI: Subgenus symphyomyrtus, section bisectaria, series cneorifoliae, series porantherae and series falcatae, Flavour Fragr. J., 1997, 12, 261-267. [all data]

Bignell, Dunlop, et al., 1997, 4
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series I). Part XVII: Subgenus symphyomyrtus (i) section bisectaria, series calycogonae and (ii) section dumaria, series dumosae, series rigentes and series ovulares, Flavour Fragr. J., 1997, 12, 269-275. [all data]

Bignell, Dunlop, et al., 1997, 5
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some Queensland and Norther Australian species of the genus Eucalyptus (Series II) Part II. Subgenera (a) Blakella, (b) Corymbia, (c) Unnamed, (d) Idiogenes, (e) Monocalyptus and (f) Symphyomyrtus, Flavour Fragr. J., 1997, 12, 4, 277-284, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<277::AID-FFJ642>3.0.CO;2-B . [all data]

Bignell, Dunlop, et al., 1997, 6
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J., Volatile leaf oils of some south-western and southern Australian speices of the genus Eucalyptus (Series I). Part XVIII. A. Subgenus monocalyptus. B. Subgenus Symphyomyrtus: (i) section Guilfoyleanae; (ii) section bisectaria, series accedentes, series occidentales, series levispermae, series loxophlebae, series macrocarpae, series orbifoliae, series calycogonae; (iii) section dumaria, series incrassatae and series ovulares, Flavour Fragr. J., 1997, 12, 423-432. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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