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

View entire compound with spectra: 1 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
SpectraBase Compound ID FycC0jUgIMC
InChI InChI=1S/C33H29FN6O2S2/c1-21-11-13-23(14-12-21)28-18-27(29-10-5-15-43-29)38-40(28)31(41)20-44-33-37-36-30(39(33)26-9-3-6-22(2)16-26)19-35-32(42)24-7-4-8-25(34)17-24/h3-17,28H,18-20H2,1-2H3,(H,35,42)
InChIKey XXCQBPQMDUXWLZ-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 2xIB6GygX97
Name benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
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/c1-21-11-13-23(14-12-21)28-18-27(29-10-5-15-43-29)38-40(28)31(41)20-44-33-37-36-30(39(33)26-9-3-6-22(2)16-26)19-35-32(42)24-7-4-8-25(34)17-24/h3-17,28H,18-20H2,1-2H3,(H,35,42)
InChIKey XXCQBPQMDUXWLZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5500
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/10257168; Labnumber: F0514-0543