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METHYL-4-ACETAMIDO-3-PHENYLTHIOCYCLOHEX-3-ENECARBOXYLATE
SpectraBase Compound ID 3yFFY0gDhgQ
InChI InChI=1S/C16H19NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKey HMVMADMAXOPFTH-UHFFFAOYSA-N
Mol Weight 305.39 g/mol
Molecular Formula C16H19NO3S
Exact Mass 305.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXpCuoYNirk
Name 4-acetamido-3-(phenylthio)-1-cyclohex-3-enecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NO3S
InChI InChI=1S/C16H19NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKey HMVMADMAXOPFTH-UHFFFAOYSA-N
Molecular Weight 305.392 g/mol
SMILES N(C1=C(Sc2ccccc2)CC(C(=O)OC)CC1)C(=O)C
SPLASH splash10-0002-0901000000-326d90ae7badffc018a6
Source of Spectrum KC-0-1696-8
Synonyms 4-acetamido-3-(phenylthio)cyclohex-3-ene-1-carboxylic acid methyl ester methyl 4-acetamido-3-phenylsulfanyl-cyclohex-3-ene-1-carboxylate
Wiley ID 822692