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Acetamide, N-[1-(cyanomethyl)-2-(phenylthio)ethyl]-
SpectraBase Compound ID A4QZIggjnGq
InChI InChI=1S/C12H14N2OS/c1-10(15)14-11(7-8-13)9-16-12-5-3-2-4-6-12/h2-6,11H,7,9H2,1H3,(H,14,15)
InChIKey XXMOBFNGMGFOFP-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C12H14N2OS
Exact Mass 234.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjhMwfJ6oe3
Name Acetamide, N-[1-(cyanomethyl)-2-(phenylthio)ethyl]-
CAS Registry Number 117768-50-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H14N2OS
InChI InChI=1S/C12H14N2OS/c1-10(15)14-11(7-8-13)9-16-12-5-3-2-4-6-12/h2-6,11H,7,9H2,1H3,(H,14,15)
InChIKey XXMOBFNGMGFOFP-UHFFFAOYSA-N
Molecular Weight 234.317 g/mol
SMILES N(C(=O)C)C(CSc1ccccc1)CC#N
SPLASH splash10-004i-0900000000-03a5f57f96dfc3097e2f
Source of Spectrum KC-1988-2528-50
Synonyms 3-Acetamido-4-(phenylthio)butanenitrile N-{2-cyano-1-[(phenylsulfanyl)methyl]ethyl}acetamide
Wiley ID 1235740