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4-Methylthiocyclohex-1-enecarboxylic acid, methyl ester
SpectraBase Compound ID 6BB7zmPK7dC
InChI InChI=1S/C9H14O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3,8H,4-6H2,1-2H3
InChIKey DRQPCXCSRSGVJW-UHFFFAOYSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPQj7fBZzBE
Name 4-Methylthiocyclohex-1-enecarboxylic acid, methyl ester
Alternate Name(s) 4-(methylthio)-1-cyclohexenecarboxylic acid methyl ester 4-(methylthio)cyclohexene-1-carboxylic acid methyl ester Methyl 4-(methylsulfanyl)-1-cyclohexene-1-carboxylate Methyl 4-methylsulfanylcyclohexene-1-carboxylate
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Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3,8H,4-6H2,1-2H3
InChIKey DRQPCXCSRSGVJW-UHFFFAOYSA-N
Molecular Weight 186.269 g/mol
SMILES C1(SC)CCC(=CC1)C(=O)OC
SPLASH splash10-009i-9500000000-5c1d1341dc1d8ae6f9fe
Wiley ID 1489748