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3-Anilino-3-mercapto-2-[(piperidin-1'-yl)carbonyl]-acrylonitrile
SpectraBase Compound ID BTJebIUoKI6
InChI InChI=1S/C15H17N3OS/c16-11-13(15(19)18-9-5-2-6-10-18)14(20)17-12-7-3-1-4-8-12/h1,3-4,7-8,17,20H,2,5-6,9-10H2/b14-13+
InChIKey QHLKONZCWYPTNY-BUHFOSPRSA-N
Mol Weight 287.38 g/mol
Molecular Formula C15H17N3OS
Exact Mass 287.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmuajvqERQN
Name 3-Anilino-3-mercapto-2-[(piperidin-1'-yl)carbonyl]-acrylonitrile
Alternate Name(s) (E)-3-anilino-3-mercapto-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile (E)-3-anilino-2-(piperidine-1-carbonyl)-3-sulfanylprop-2-enenitrile (E)-3-anilino-2-(piperidine-1-carbonyl)-3-sulfanyl-prop-2-enenitrile (E)-3-phenylazanyl-2-piperidin-1-ylcarbonyl-3-sulfanyl-prop-2-enenitrile
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Formula C15H17N3OS
InChI InChI=1S/C15H17N3OS/c16-11-13(15(19)18-9-5-2-6-10-18)14(20)17-12-7-3-1-4-8-12/h1,3-4,7-8,17,20H,2,5-6,9-10H2/b14-13+
InChIKey QHLKONZCWYPTNY-BUHFOSPRSA-N
Molecular Weight 287.381 g/mol
SMILES N(\C(=C/(C(N1CCCCC1)=O)C#N)S)c1ccccc1
SPLASH splash10-0udi-0960000000-4a3406a8643d89dc0b30
Source of Spectrum AH-140-436-13
Wiley ID 1696148