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1,4-Cyclohexadiene-1-carboxylic acid, methyl ester

View entire compound with spectra: 3 MS (GC)

1,4-Cyclohexadiene-1-carboxylic acid, methyl ester
SpectraBase Compound ID EOjoQO6t5Aw
InChI InChI=1S/C8H10O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChIKey MQVGWLAOVAXSOP-UHFFFAOYSA-N
Mol Weight 138.17 g/mol
Molecular Formula C8H10O2
Exact Mass 138.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nn39coJXaH
Name 1,4-Cyclohexadiene-1-carboxylic acid, methyl ester
Alternate Name(s) Methyl 1,4-cyclohexadiene-1-carboxylate 1-cyclohexa-1,4-dienecarboxylic acid methyl ester cyclohexa-1,4-diene-1-carboxylic acid methyl ester Methyl cyclohexa-1,4-diene-1-carboxylate
CAS Registry Number 50983-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O2
InChI InChI=1S/C8H10O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChIKey MQVGWLAOVAXSOP-UHFFFAOYSA-N
Molecular Weight 138.166 g/mol
SMILES COC(=O)C=1CC=CCC1
SPLASH splash10-004r-9500000000-ea42b2b25c3e35c7908f
Wiley ID 1489579