John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7WqC1ukjVRk SpectraBase Spectrum ID=HATq9yKdvM0

(accessed ).
6-Heptadecylthymoquinone
SpectraBase Compound ID 7WqC1ukjVRk
InChI InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(4)26(28)21-25(22(2)3)27(24)29/h21-22H,5-20H2,1-4H3
InChIKey AMYMRDXQIGEKIF-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID HATq9yKdvM0
Name 6-Heptadecylthymoquinone
Alternate Name(s) 3-Heptadecyl-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione
Classification Monocyclic monoterpenoids
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Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(4)26(28)21-25(22(2)3)27(24)29/h21-22H,5-20H2,1-4H3
InChIKey AMYMRDXQIGEKIF-UHFFFAOYSA-N
SPLASH splash10-0udi-0200900000-51cf6ae6b4e8178fc886
Source of Spectrum CMC-4-766-3a (DOI: 10.1002/cmdc.200800430)
SpectraBase Batch ID KgqB0My5WlH