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

*Links on SpectraBase are not permalinks.
(2S,3R)-3-methyl-2-(3-oxidanylidenebutyl)-6-propan-2-ylidene-cyclohexan-1-one
SpectraBase Compound ID FCaW02KZfFE
InChI InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,13H,5-8H2,1-4H3/t10-,13+/m1/s1
InChIKey AITZTJGBRHUSDK-MFKMUULPSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 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 3omBAv4axs
Name (2S,3R)-3-methyl-2-(3-oxidanylidenebutyl)-6-propan-2-ylidene-cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,13H,5-8H2,1-4H3/t10-,13+/m1/s1
InChIKey AITZTJGBRHUSDK-MFKMUULPSA-N
Molecular Weight 222.328 g/mol
SMILES C1(C(CC[C@]([C@@]1(CCC(=O)C)[H])(C)[H])=C(C)C)=O
SPLASH splash10-022i-0950000000-83d8830fff20e0a5896c
Source of Spectrum F-55-15120-3
Synonyms (2S,3R)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylidene-1-cyclohexanone (2S,3R)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one (2S,3R)-6-isopropylidene-2-(3-ketobutyl)-3-methyl-cyclohexanone (2S,3R)-6-isopropylidene-3-methyl-2-(3-oxobutyl)cyclohexanone
Wiley ID 840367