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

*Links on SpectraBase are not permalinks.
acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-
SpectraBase Compound ID AN6zz2xhDxg
InChI InChI=1S/C28H17ClF3N3O2S/c29-19-11-12-23(20(13-19)26(37)18-9-5-2-6-10-18)34-25(36)16-38-27-21(15-33)22(28(30,31)32)14-24(35-27)17-7-3-1-4-8-17/h1-14H,16H2,(H,34,36)
InChIKey XIQQWIRAAORZND-UHFFFAOYSA-N
Mol Weight 551.97 g/mol
Molecular Formula C28H17ClF3N3O2S
Exact Mass 551.06821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6VhwWXW5Kle
Name acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.068210160 u
Formula C28H17ClF3N3O2S
InChI InChI=1S/C28H17ClF3N3O2S/c29-19-11-12-23(20(13-19)26(37)18-9-5-2-6-10-18)34-25(36)16-38-27-21(15-33)22(28(30,31)32)14-24(35-27)17-7-3-1-4-8-17/h1-14H,16H2,(H,34,36)
InChIKey XIQQWIRAAORZND-UHFFFAOYSA-N
Molecular Weight 551.971 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11532
Solvent DMSO-d6
Source Vendor ID: NMR/10261619; Lab Info: NKS; Lab Number: NKS-ACA0293