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3-Cyano-2,3-dihydro-2-(p-bromophenyl)-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID 9LMQFzcUUGD
InChI InChI=1S/C16H11BrN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1
InChIKey QSBLDKHWVLBGJX-DOMZBBRYSA-N
Mol Weight 359.24 g/mol
Molecular Formula C16H11BrN2OS
Exact Mass 357.977547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KwDbaqjRCT
Name 3-Cyano-2,3-dihydro-2-(p-bromophenyl)-1,5-benzothiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11BrN2OS
InChI InChI=1S/C16H11BrN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1
InChIKey QSBLDKHWVLBGJX-DOMZBBRYSA-N
Molecular Weight 359.241 g/mol
SMILES N1c2ccccc2S[C@]([C@](C1=O)(C#N)[H])(c1ccc(cc1)Br)[H]
SPLASH splash10-0bt9-1094000000-f22c24600b5bebdb2a14
Source of Spectrum SK-32-1089-3
Synonyms (2R,3S)-2-(4-Bromo-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine-3-carbonitrile 2-(4-bromophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile 3-Cyano-2,3-dihydro-2-(4'-bromophenyl)-1,5-benzothiazepin-4(5H)-one 3-Cyano-2,3-dihydro-2-(p-bromoophenyl)-1,5-benzothiazepin-4(5H)-one
Wiley ID 882466