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

*Links on SpectraBase are not permalinks.
benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-
SpectraBase Compound ID 304eHha15Vf
InChI InChI=1S/C34H31FN6O4S2/c1-44-28-15-12-24(17-29(28)45-2)33(43)36-19-31-37-38-34(40(31)20-22-7-4-3-5-8-22)47-21-32(42)41-27(23-10-13-25(35)14-11-23)18-26(39-41)30-9-6-16-46-30/h3-17,27H,18-21H2,1-2H3,(H,36,43)
InChIKey XOWNPABIFFRBNN-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C34H31FN6O4S2
Exact Mass 670.183224 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 AqNuyOf9gAZ
Name benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C34H31FN6O4S2/c1-44-28-15-12-24(17-29(28)45-2)33(43)36-19-31-37-38-34(40(31)20-22-7-4-3-5-8-22)47-21-32(42)41-27(23-10-13-25(35)14-11-23)18-26(39-41)30-9-6-16-46-30/h3-17,27H,18-21H2,1-2H3,(H,36,43)
InChIKey XOWNPABIFFRBNN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5566
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10257265; Labnumber: F0514-4936