For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,5-Benzothiazepine, 2,3-dihydro-4-(methylthio)-2,3-diphenyl-, trans-
SpectraBase Compound ID E6gJWKEHcsz
InChI InChI=1S/C22H19NS2/c1-24-22-20(16-10-4-2-5-11-16)21(17-12-6-3-7-13-17)25-19-15-9-8-14-18(19)23-22/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKey DHHILVGNVAZUMP-NHCUHLMSSA-N
Mol Weight 361.52 g/mol
Molecular Formula C22H19NS2
Exact Mass 361.095892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1ob4Me6P8yt
Name 1,5-Benzothiazepine, 2,3-dihydro-4-(methylthio)-2,3-diphenyl-, trans-
CAS Registry Number 79246-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NS2
InChI InChI=1S/C22H19NS2/c1-24-22-20(16-10-4-2-5-11-16)21(17-12-6-3-7-13-17)25-19-15-9-8-14-18(19)23-22/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKey DHHILVGNVAZUMP-NHCUHLMSSA-N
Molecular Weight 361.521 g/mol
SMILES C1(=Nc2c(cccc2)S[C@@]([C@]1(c1ccccc1)[H])(c1ccccc1)[H])SC
SPLASH splash10-03di-0019000000-04a833efc28dbed7bc68
Source of Spectrum K-117-1644-0
Synonyms (2S,3R)-2,3-diphenyl-2,3-dihydro-1,5-benzothiazepin-4-yl methyl sulfide (2S,3R)-4-(methylsulfanyl)-2,3-diphenyl-2,3-dihydro-1,5-benzothiazepine trans-2,3-dihydro-4-(methylthio)-2,3-diphenyl-1,5-benzothiazepine
Wiley ID 1349080