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Acetamide, N-[5-cyano-2-[(4-methylphenyl)thio]pentyl]-
SpectraBase Compound ID 9sTBvPwT9A5
InChI InChI=1S/C15H20N2OS/c1-12-6-8-14(9-7-12)19-15(5-3-4-10-16)11-17-13(2)18/h6-9,15H,3-5,11H2,1-2H3,(H,17,18)
InChIKey AASQATMNLNWMEK-UHFFFAOYSA-N
Mol Weight 276.4 g/mol
Molecular Formula C15H20N2OS
Exact Mass 276.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai8GVb8cn0w
Name Acetamide, N-[5-cyano-2-[(4-methylphenyl)thio]pentyl]-
Alternate Name(s) 6-Acetamido-5-(4-methylphenylthio)hexanenitrile 6-Acetamido-5-p-tolylthiohexanenitrile N-{5-cyano-2-[(4-methylphenyl)sulfanyl]pentyl}acetamide
CAS Registry Number 117768-61-3
Comments Less than 3 mono-isotopic peaks
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Formula C15H20N2OS
InChI InChI=1S/C15H20N2OS/c1-12-6-8-14(9-7-12)19-15(5-3-4-10-16)11-17-13(2)18/h6-9,15H,3-5,11H2,1-2H3,(H,17,18)
InChIKey AASQATMNLNWMEK-UHFFFAOYSA-N
Molecular Weight 276.398 g/mol
SMILES N(C(=O)C)CC(Sc1ccc(cc1)C)CCCC#N
SPLASH splash10-016r-0090000000-ebceca6653abdbb02c1a
Source of Spectrum KC-1988-2529-61
Wiley ID 1280033