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

*Links on SpectraBase are not permalinks.
E-(S)-5-(3-Acetoxy-1-methylpropenyl)-2-methyl-2-cyclohexenone
SpectraBase Compound ID LGO1EPJHHvp
InChI InChI=1S/C13H18O3/c1-9(6-7-16-11(3)14)12-5-4-10(2)13(15)8-12/h4,6,12H,5,7-8H2,1-3H3/b9-6+/t12-/m0/s1
InChIKey PNXTVNLOIZOSSO-LZGFCCKTSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 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 4XVQ9s0cDVJ
Name E-(S)-5-(3-Acetoxy-1-methylpropenyl)-2-methyl-2-cyclohexenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(6-7-16-11(3)14)12-5-4-10(2)13(15)8-12/h4,6,12H,5,7-8H2,1-3H3/b9-6+/t12-/m0/s1
InChIKey PNXTVNLOIZOSSO-LZGFCCKTSA-N
Literature Reference DOI 10.1002/adsc.201100053
Molecular Weight 222.284 g/mol
SMILES C1(C(=CC[C@@](C1)(\C(=C\COC(=O)C)C)[H])C)=O
SPLASH splash10-0089-5900000000-611cf49e0bf4f0d73e7f
Source of Spectrum ASC-353-1993/SM11-21
Synonyms (S,E)-3-(4-methyl-5-oxocyclohex-3-en-1-yl)but-2-en-1-yl acetate
Wiley ID 1764678