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3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-
SpectraBase Compound ID 60nwqdcxHTX
InChI InChI=1S/C11H16O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h4,6,8H,5,7H2,1-3H3/t8-/m0/s1
InChIKey NGWZQUIHWOFSSN-QMMMGPOBSA-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 DxrlGJpuSxY
Name 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-
Alternate Name(s) 2-[(1S)-6,6-dimethyl-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester Methyl 2-[(1S)-6,6-dimethyl-5-oxocyclohex-3-en-1-yl]acetate Methyl 2-[(1S)-6,6-dimethyl-5-oxo-cyclohex-3-en-1-yl]acetate Methyl 2-[(1S)-6,6-dimethyl-5-oxidanylidene-cyclohex-3-en-1-yl]ethanoate
CAS Registry Number 70591-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h4,6,8H,5,7H2,1-3H3/t8-/m0/s1
InChIKey NGWZQUIHWOFSSN-QMMMGPOBSA-N
Molecular Weight 196.246 g/mol
SMILES C1([C@](CC(=O)OC)(CC=CC1=O)[H])(C)C
SPLASH splash10-014i-9200000000-a55738666f0a692a93fd
Source of Spectrum F-44-6585-2
Wiley ID 1193159