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4-keto-5-methyl-cyclohepta-1,6-diene-1-carboxylic acid ethyl ester
SpectraBase Compound ID FzO5bEqVzly
InChI InChI=1S/C11H14O3/c1-3-14-11(13)9-5-4-8(2)10(12)7-6-9/h4-6,8H,3,7H2,1-2H3
InChIKey ZSCOMJOIHKSCEQ-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bHKGZ1W3kt
Name 4-keto-5-methyl-cyclohepta-1,6-diene-1-carboxylic acid ethyl ester
Alternate Name(s) 5-Methyl-4-oxo-1-cyclohepta-1,6-dienecarboxylic acid ethyl ester Ethyl 5-methyl-4-oxidanylidene-cyclohepta-1,6-diene-1-carboxylate Ethyl 5-methyl-4-oxo-cyclohepta-1,6-diene-1-carboxylate
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Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-3-14-11(13)9-5-4-8(2)10(12)7-6-9/h4-6,8H,3,7H2,1-2H3
InChIKey ZSCOMJOIHKSCEQ-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C=1(C=CC(C)C(CC1)=O)C(=O)OCC
SPLASH splash10-0006-4900000000-22d2613172fcde927b6a
Source of Spectrum SK-25-4120-10
Wiley ID 865870