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2,5-Cyclohexadiene-1-carboxylic acid, 1-methyl-, methyl ester
SpectraBase Compound ID E34u7cimrjT
InChI InChI=1S/C9H12O2/c1-9(8(10)11-2)6-4-3-5-7-9/h4-7H,3H2,1-2H3
InChIKey OQNGWKCLPVWDCF-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VMTCViDvfn
Name 2,5-Cyclohexadiene-1-carboxylic acid, 1-methyl-, methyl ester
Alternate Name(s) 1-Methyl-1-cyclohexa-2,5-dienecarboxylic acid methyl ester 1-Methylcyclohexa-2,5-diene-1-carboxylic acid methyl ester Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate
CAS Registry Number 59034-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-9(8(10)11-2)6-4-3-5-7-9/h4-7H,3H2,1-2H3
InChIKey OQNGWKCLPVWDCF-UHFFFAOYSA-N
Molecular Weight 152.193 g/mol
SMILES C1(C(=O)OC)(C=CCC=C1)C
SPLASH splash10-0006-9000000000-15360b12f7486b5c4d29
Source of Spectrum H-64-796-0
Wiley ID 1149013