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Acetamide, N-[3-cyano-2-[(4-methylphenyl)thio]propyl]-
SpectraBase Compound ID 54YvXSuXxaW
InChI InChI=1S/C13H16N2OS/c1-10-3-5-12(6-4-10)17-13(7-8-14)9-15-11(2)16/h3-6,13H,7,9H2,1-2H3,(H,15,16)
InChIKey CREMSPRCBOTDIY-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHsibeBqE3h
Name Acetamide, N-[3-cyano-2-[(4-methylphenyl)thio]propyl]-
CAS Registry Number 117768-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-10-3-5-12(6-4-10)17-13(7-8-14)9-15-11(2)16/h3-6,13H,7,9H2,1-2H3,(H,15,16)
InChIKey CREMSPRCBOTDIY-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES N(C(=O)C)CC(Sc1ccc(cc1)C)CC#N
SPLASH splash10-000f-9710000000-cbe16aebb0cd4d613e55
Source of Spectrum KC-1988-2528-53
Synonyms 4-Acetamido-3-(4-methylphenylthio)butanenitrile 4-Acetamido-3-p-tolylthiobutanenitrile N-{3-cyano-2-[(4-methylphenyl)sulfanyl]propyl}acetamide
Wiley ID 1250913