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1-Ethyl-6-keto-cyclohexa-2,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID 45zxJsQghCP
InChI InChI=1S/C10H12O3/c1-3-10(9(12)13-2)7-5-4-6-8(10)11/h4-7H,3H2,1-2H3
InChIKey SQZQEVUHHWGONC-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11drHmVZ1mW
Name 1-Ethyl-6-keto-cyclohexa-2,4-diene-1-carboxylic acid methyl ester
Alternate Name(s) 1-Ethyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid methyl ester Methyl 1-ethyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Methyl 1-ethyl-6-oxo-2,4-cyclohexadiene-1-carboxylate Methyl 1-ethyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate
CAS Registry Number 86990-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-3-10(9(12)13-2)7-5-4-6-8(10)11/h4-7H,3H2,1-2H3
InChIKey SQZQEVUHHWGONC-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES C1(C(=O)OC)(C(C=CC=C1)=O)CC
SPLASH splash10-00di-0900000000-11f8b189479430abdf50
Source of Spectrum J-49-4436-0
Wiley ID 1176170