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benzeneacetamide, 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]-

View entire compound with spectra: 1 NMR

benzeneacetamide, 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]-
SpectraBase Compound ID G7UqdKi4h0h
InChI InChI=1S/C33H29FN6O2S2/c1-22-7-5-10-26(17-22)39-30(20-35-31(41)18-23-8-3-2-4-9-23)36-37-33(39)44-21-32(42)40-28(24-12-14-25(34)15-13-24)19-27(38-40)29-11-6-16-43-29/h2-17,28H,18-21H2,1H3,(H,35,41)
InChIKey HMKKZTZPCGHFOO-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

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SpectraBase Spectrum ID 8EJ0TkCLqxv
Name benzeneacetamide, 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]-
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/c1-22-7-5-10-26(17-22)39-30(20-35-31(41)18-23-8-3-2-4-9-23)36-37-33(39)44-21-32(42)40-28(24-12-14-25(34)15-13-24)19-27(38-40)29-11-6-16-43-29/h2-17,28H,18-21H2,1H3,(H,35,41)
InChIKey HMKKZTZPCGHFOO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5457
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/10257111; Labnumber: F0514-4002