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2-Methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester
SpectraBase Compound ID 5o2sSJgt6Bi
InChI InChI=1S/C9H12O3/c1-6-5-7(10)3-4-8(6)9(11)12-2/h5,8H,3-4H2,1-2H3
InChIKey AGOJIHXCXNTMPM-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwDRFcS0rhr
Name 2-Methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester
Alternate Name(s) 4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Methyl 2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Methyl 2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
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Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-6-5-7(10)3-4-8(6)9(11)12-2/h5,8H,3-4H2,1-2H3
InChIKey AGOJIHXCXNTMPM-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C=1(C(C(=O)OC)CCC(C1)=O)C
SPLASH splash10-07vl-0900000000-f8fd112a778dd3e68b2b
Source of Spectrum AJ-65-2460-2
Wiley ID 771677