For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzaldehyde, 2-[2-(2,2-dimethyl-6-oxocyclohexyl)ethyl]-5-methoxy-4-(1-methylethyl)-, (S)-
SpectraBase Compound ID 8JUdj1i8Zg2
InChI InChI=1S/C21H30O3/c1-14(2)17-11-15(16(13-22)12-20(17)24-5)8-9-18-19(23)7-6-10-21(18,3)4/h11-14,18H,6-10H2,1-5H3/t18-/m1/s1
InChIKey HIYZQKHVSVRECA-GOSISDBHSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BKSLsvDwh72
Name Benzaldehyde, 2-[2-(2,2-dimethyl-6-oxocyclohexyl)ethyl]-5-methoxy-4-(1-methylethyl)-, (S)-
CAS Registry Number 95263-35-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-14(2)17-11-15(16(13-22)12-20(17)24-5)8-9-18-19(23)7-6-10-21(18,3)4/h11-14,18H,6-10H2,1-5H3/t18-/m1/s1
InChIKey HIYZQKHVSVRECA-GOSISDBHSA-N
Molecular Weight 330.468 g/mol
SMILES c1(cc(CC[C@]2(C(CCCC2=O)(C)C)[H])c(cc1OC)C=O)C(C)C
SPLASH splash10-0w4i-0970000000-71d30916dcc0d8b083dd
Source of Spectrum F-42-533-4
Synonyms 2-{2-[(1S)-2,2-dimethyl-6-oxocyclohexyl]ethyl}-4-isopropyl-5-methoxybenzaldehyde 5-Methoxy-4-isopropyl-2-(2',2'-dimethylcyclohexane-6'-one)ethyl-benzaldehyde
Wiley ID 1328272