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2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 2iTSGm4KQlI
InChI InChI=1S/C9H12O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3,5-6,8H,4H2,1-2H3
InChIKey BNNKWFSVSSMACL-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 BvlmhJn33VO
Name 2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester
Alternate Name(s) 6-Methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester Methyl 6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Methyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate Methyl 6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate
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Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3,5-6,8H,4H2,1-2H3
InChIKey BNNKWFSVSSMACL-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1(C(=O)OC)C(C=CCC1C)=O
SPLASH splash10-014i-9300000000-909bda3511c2b6ba7ebb
Source of Spectrum SO-0-994-4
Wiley ID 1541791