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3-Cyano-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID HtRuileZs3E
InChI InChI=1S/C16H12N2OS/c17-10-12-15(11-6-2-1-3-7-11)20-14-9-5-4-8-13(14)18-16(12)19/h1-9,12,15H,(H,18,19)/t12-,15+/m1/s1
InChIKey KXGWSLAQVDQEFW-DOMZBBRYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C16H12N2OS
Exact Mass 280.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ej4f3LtW7P
Name 3-Cyano-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one
Alternate Name(s) (2R,3S)-3-Cyano-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one 4-Oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile (2R,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile (2R,3S)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile
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Formula C16H12N2OS
InChI InChI=1S/C16H12N2OS/c17-10-12-15(11-6-2-1-3-7-11)20-14-9-5-4-8-13(14)18-16(12)19/h1-9,12,15H,(H,18,19)/t12-,15+/m1/s1
InChIKey KXGWSLAQVDQEFW-DOMZBBRYSA-N
Molecular Weight 280.345 g/mol
SMILES N1c2ccccc2S[C@]([C@](C1=O)(C#N)[H])(c1ccccc1)[H]
SPLASH splash10-03k9-1390000000-968297ef534cd01485c7
Source of Spectrum SK-32-1089-3
Wiley ID 1548647