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

*Links on SpectraBase are not permalinks.
cis-3-(4'-nitrophenyl)-5-phenyl-1-(2'-iodobenzoyl)-2-(3'-thienyl)methylpyrazolidine
SpectraBase Compound ID LqOBf1GpMWR
InChI InChI=1S/C27H22IN3O3S/c28-24-9-5-4-8-23(24)27(32)30-26(20-6-2-1-3-7-20)16-25(29(30)17-19-14-15-35-18-19)21-10-12-22(13-11-21)31(33)34/h1-15,18,25-26H,16-17H2/t25-,26+/m0/s1
InChIKey YAHKQZWKCXWAHU-IZZNHLLZSA-N
Mol Weight 595.46 g/mol
Molecular Formula C27H22IN3O3S
Exact Mass 595.042658 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 6abyOGzedk7
Name cis-3-(4'-nitrophenyl)-5-phenyl-1-(2'-iodobenzoyl)-2-(3'-thienyl)methylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22IN3O3S
InChI InChI=1S/C27H22IN3O3S/c28-24-9-5-4-8-23(24)27(32)30-26(20-6-2-1-3-7-20)16-25(29(30)17-19-14-15-35-18-19)21-10-12-22(13-11-21)31(33)34/h1-15,18,25-26H,16-17H2/t25-,26+/m0/s1
InChIKey YAHKQZWKCXWAHU-IZZNHLLZSA-N
Molecular Weight 595.455 g/mol
SMILES [C@]1(N(N([C@](C1)(c1ccccc1)[H])C(c1c(I)cccc1)=O)Cc1cscc1)(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-01qa-7093000000-3ab005637f16aae24c10
Source of Spectrum F-59-4463-43a
Wiley ID 1678361