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(1S,6S)-2,6-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester
SpectraBase Compound ID CVpvpBfYdgD
InChI InChI=1S/C11H16O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5,8,10H,4,6H2,1-3H3/t8-,10+/m0/s1
InChIKey FMQHLVMBLLFWPK-WCBMZHEXSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IfTfsiTgdi
Name (1S,6S)-2,6-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester
CAS Registry Number 91157-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5,8,10H,4,6H2,1-3H3/t8-,10+/m0/s1
InChIKey FMQHLVMBLLFWPK-WCBMZHEXSA-N
Molecular Weight 196.246 g/mol
SMILES C=1([C@]([C@@](C)(CC(C1)=O)[H])(C(=O)OCC)[H])C
SPLASH splash10-0002-9500000000-381e58ae913c77ce2584
Source of Spectrum J-49-3225-0
Synonyms (1S,6S)-4-keto-2,6-dimethyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Ethyl (1S,6S)-2,6-dimethyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Ethyl (1S,6S)-2,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate
Wiley ID 1193080