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

*Links on SpectraBase are not permalinks.

benzamide, 4-[(dimethylamino)sulfonyl]-N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-

View entire compound with spectra: 1 NMR

benzamide, 4-[(dimethylamino)sulfonyl]-N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID Ga4gw81fOc4
InChI InChI=1S/C28H28FN7O4S3/c1-34(2)43(39,40)21-12-8-19(9-13-21)27(38)30-16-25-31-32-28(35(25)3)42-17-26(37)36-23(18-6-10-20(29)11-7-18)15-22(33-36)24-5-4-14-41-24/h4-14,23H,15-17H2,1-3H3,(H,30,38)
InChIKey KKCATKGCYLZVRD-UHFFFAOYSA-N
Mol Weight 641.76 g/mol
Molecular Formula C28H28FN7O4S3
Exact Mass 641.134894 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 3nwXZsXh3RE
Name benzamide, 4-[(dimethylamino)sulfonyl]-N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H28FN7O4S3/c1-34(2)43(39,40)21-12-8-19(9-13-21)27(38)30-16-25-31-32-28(35(25)3)42-17-26(37)36-23(18-6-10-20(29)11-7-18)15-22(33-36)24-5-4-14-41-24/h4-14,23H,15-17H2,1-3H3,(H,30,38)
InChIKey KKCATKGCYLZVRD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5533
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/10257225; Labnumber: F0514-3450