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(E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)acrylonitrile
SpectraBase Compound ID GC0K5eo7GI3
InChI InChI=1S/C15H15N3O2S/c16-11-13(15(21)17-7-2-1-3-8-17)9-12-5-4-6-14(10-12)18(19)20/h4-6,9-10H,1-3,7-8H2/b13-9+
InChIKey IQAOYCYBDBONER-UKTHLTGXSA-N
Mol Weight 301.36 g/mol
Molecular Formula C15H15N3O2S
Exact Mass 301.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6UGFEsYK1B
Name (E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)acrylonitrile
Alternate Name(s) (E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)prop-2-enenitrile (E)-3-(3-nitrophenyl)-2-piperidin-1-ylcarbothioyl-prop-2-enenitrile (E)-3-(3-nitrophenyl)-2-[1-piperidinyl(sulfanylidene)methyl]-2-propenenitrile
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Formula C15H15N3O2S
InChI InChI=1S/C15H15N3O2S/c16-11-13(15(21)17-7-2-1-3-8-17)9-12-5-4-6-14(10-12)18(19)20/h4-6,9-10H,1-3,7-8H2/b13-9+
InChIKey IQAOYCYBDBONER-UKTHLTGXSA-N
Molecular Weight 301.364 g/mol
SMILES C(\C(=C\c1cc(ccc1)N(=O)=O)C#N)(=S)N1CCCCC1
SPLASH splash10-0ue9-5239000000-e8b10bd788692e859e19
Source of Spectrum KC-0-992-6
Wiley ID 781061