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Acetamide, N-[3-cyano-2-(phenylthio)propyl]-
SpectraBase Compound ID ElOfNvlrHEs
InChI InChI=1S/C12H14N2OS/c1-10(15)14-9-12(7-8-13)16-11-5-3-2-4-6-11/h2-6,12H,7,9H2,1H3,(H,14,15)
InChIKey LKFWKXIUZZIWFZ-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 3UJLoH5nXbJ
Name Acetamide, N-[3-cyano-2-(phenylthio)propyl]-
CAS Registry Number 117768-51-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H14N2OS
InChI InChI=1S/C12H14N2OS/c1-10(15)14-9-12(7-8-13)16-11-5-3-2-4-6-11/h2-6,12H,7,9H2,1H3,(H,14,15)
InChIKey LKFWKXIUZZIWFZ-UHFFFAOYSA-N
Molecular Weight 234.317 g/mol
SMILES N(C(=O)C)CC(Sc1ccccc1)CC#N
SPLASH splash10-004i-0920000000-e109f5cced27c432f20d
Source of Spectrum KC-1988-2528-51
Synonyms 4-Acetamido-3-(phenylthio)butanenitrile N-[3-cyano-2-(phenylsulfanyl)propyl]acetamide
Wiley ID 1235741