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N-[1'-(Aminocarbonyl)ethyl]-[4"-benzylthio)phenyl]amine
SpectraBase Compound ID LcWsuv6Wfh7
InChI InChI=1S/C16H18N2OS/c1-12(16(17)19)18-14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3,(H2,17,19)
InChIKey GVQOPMAIYQFOJQ-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C16H18N2OS
Exact Mass 286.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Af5aJODVdPq
Name N-[1'-(Aminocarbonyl)ethyl]-[4"-benzylthio)phenyl]amine
Comments Note: The molecular formula of the structure shown is C16H18N2OS - which differs from the formula reported for the mass spectrum (C17H20N2OS2)
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Formula C17H20N2OS2
InChI InChI=1S/C16H18N2OS/c1-12(16(17)19)18-14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3,(H2,17,19)
InChIKey GVQOPMAIYQFOJQ-UHFFFAOYSA-N
Molecular Weight 286.393 g/mol
SMILES N(C(C(=O)N)C)c1ccc(SCc2ccccc2)cc1
SPLASH splash10-0006-9080000000-3b5379536bac3430a70e
Source of Spectrum OP-26-180-3
Synonyms N-[1'-(Aminocarbonyl)ethyl]-[4''-benzylthio-phenyl]amine
Wiley ID 850754