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

*Links on SpectraBase are not permalinks.
4-(4-Allyloxy-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID HFrLf9oTevI
InChI InChI=1S/C27H23N3O2S/c1-2-17-32-22-15-13-20(14-16-22)26-24-25(19-9-5-3-6-10-19)29-30(21-11-7-4-8-12-21)27(24)28-23(31)18-33-26/h2-16,26H,1,17-18H2,(H,28,31)
InChIKey RPOYVPBNPSUACF-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C27H23N3O2S
Exact Mass 453.151098 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 EmCoxrxerMf
Name 4-(4-Allyloxy-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 C27H23N3O2S
InChI InChI=1S/C27H23N3O2S/c1-2-17-32-22-15-13-20(14-16-22)26-24-25(19-9-5-3-6-10-19)29-30(21-11-7-4-8-12-21)27(24)28-23(31)18-33-26/h2-16,26H,1,17-18H2,(H,28,31)
InChIKey RPOYVPBNPSUACF-UHFFFAOYSA-N
Molecular Weight 453.560 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)OCC=C)=O
SPLASH splash10-0fk9-6449500000-6d5c0986cb645279a640
Synonyms 4-[4-(allyloxy)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442221