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3-Cyclohexene-1-carboxylic acid, 3-acetyl-4-(phenylthio)-, methyl ester
SpectraBase Compound ID 2fuATAmzl5z
InChI InChI=1S/C16H18O3S/c1-11(17)14-10-12(16(18)19-2)8-9-15(14)20-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3
InChIKey BOPJIILZDZZNMY-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ADIUxREJIc
Name 3-Cyclohexene-1-carboxylic acid, 3-acetyl-4-(phenylthio)-, methyl ester
CAS Registry Number 116503-29-8
Comments Less than 3 mono-isotopic peaks
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Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c1-11(17)14-10-12(16(18)19-2)8-9-15(14)20-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3
InChIKey BOPJIILZDZZNMY-UHFFFAOYSA-N
Molecular Weight 290.377 g/mol
SMILES C1(=C(Sc2ccccc2)CCC(C(=O)OC)C1)C(=O)C
SPLASH splash10-000x-0790000000-e91374ee4da35a58bb78
Source of Spectrum J-53-5308-10
Synonyms methyl 3-acetyl-4-(phenylsulfanyl)-3-cyclohexene-1-carboxylate Methyl 3-acetyl-4-(phenylthio)-3-cyclohexecarboxylate
Wiley ID 1293536