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4-Cyclohexene-1,2-diacetic acid, dimethyl ester, cis-
SpectraBase Compound ID BkqGAZbsxFV
InChI InChI=1S/C12H18O4/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/t9-,10+
InChIKey MNNDHWWDUFABCI-AOOOYVTPSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GycJVQEbfGz
Name 4-Cyclohexene-1,2-diacetic acid, dimethyl ester, cis-
CAS Registry Number 97920-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/t9-,10+
InChIKey MNNDHWWDUFABCI-AOOOYVTPSA-N
Molecular Weight 226.272 g/mol
SMILES C(C[C@]1([C@@](CC(=O)OC)(CC=CC1)[H])[H])(=O)OC
SPLASH splash10-00dl-9100000000-b4065ce356978ebf2982
Source of Spectrum J-54-5121-16
Synonyms 2-[(1R,6S)-6-(2-keto-2-methoxy-ethyl)cyclohex-3-en-1-yl]acetic acid methyl ester 2-[(1R,6S)-6-(2-methoxy-2-oxoethyl)-1-cyclohex-3-enyl]acetic acid methyl ester cis-4-cyclohexene-1,2-diacetic acid bis(methyl ester) Methyl 2-[(1R,6S)-6-(2-methoxy-2-oxidanylidene-ethyl)cyclohex-3-en-1-yl]ethanoate Methyl 2-[(1R,6S)-6-(2-methoxy-2-oxo-ethyl)cyclohex-3-en-1-yl]acetate Methyl[(1R,6S)-6-(2-methoxy-2-oxoethyl)-3-cyclohexen-1-yl]acetate 2-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1-cyclohex-3-enyl]acetic acid methyl ester Methyl 2-[(1S,6R)-6-(2-methoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate Methyl 2-[(1S,6R)-6-(2-methoxy-2-oxo-ethyl)cyclohex-3-en-1-yl]acetate Methyl 2-[(1S,6R)-6-(2-methoxy-2-oxidanylidene-ethyl)cyclohex-3-en-1-yl]ethanoate
Wiley ID 1227314