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

*Links on SpectraBase are not permalinks.
4-(4-Bromo-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID 6BYAy9f1301
InChI InChI=1S/C24H18BrN3OS/c25-18-13-11-17(12-14-18)23-21-22(16-7-3-1-4-8-16)27-28(19-9-5-2-6-10-19)24(21)26-20(29)15-30-23/h1-14,23H,15H2,(H,26,29)
InChIKey FSXKFHPMXBPGKE-UHFFFAOYSA-N
Mol Weight 476.39 g/mol
Molecular Formula C24H18BrN3OS
Exact Mass 475.035396 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 4GIsVUNOx9D
Name 4-(4-Bromo-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BrN3OS
InChI InChI=1S/C24H18BrN3OS/c25-18-13-11-17(12-14-18)23-21-22(16-7-3-1-4-8-16)27-28(19-9-5-2-6-10-19)24(21)26-20(29)15-30-23/h1-14,23H,15H2,(H,26,29)
InChIKey FSXKFHPMXBPGKE-UHFFFAOYSA-N
Molecular Weight 476.392 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)Br)=O
SPLASH splash10-00b9-8946700000-facec1d589f7a73807ab
Synonyms 4-(4-Bromophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1464425