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-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3-methyl-

View entire compound with spectra: 1 NMR

benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3-methyl-
SpectraBase Compound ID 7gtuQtNbNZM
InChI InChI=1S/C33H29FN6O2S2/c1-21-6-3-8-24(16-21)32(42)35-19-30-36-37-33(39(30)26-9-4-7-22(2)17-26)44-20-31(41)40-28(23-11-13-25(34)14-12-23)18-27(38-40)29-10-5-15-43-29/h3-17,28H,18-20H2,1-2H3,(H,35,42)
InChIKey QNSFGIRYKMKMEL-UHFFFAOYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C33H29FN6O2S2
Exact Mass 624.177745 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 AcEcI8CuBZI
Name benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3-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/C33H29FN6O2S2/c1-21-6-3-8-24(16-21)32(42)35-19-30-36-37-33(39(30)26-9-4-7-22(2)17-26)44-20-31(41)40-28(23-11-13-25(34)14-12-23)18-27(38-40)29-10-5-15-43-29/h3-17,28H,18-20H2,1-2H3,(H,35,42)
InChIKey QNSFGIRYKMKMEL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5438
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/10257089; Labnumber: F0514-0258