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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 2vSrXios5sA
InChI InChI=1S/C28H24BrFN6O2S/c1-35-25(16-31-27(38)20-5-3-2-4-6-20)32-33-28(35)39-17-26(37)36-24(19-9-13-22(30)14-10-19)15-23(34-36)18-7-11-21(29)12-8-18/h2-14,24H,15-17H2,1H3,(H,31,38)
InChIKey KHBKSCTZGHEJKO-UHFFFAOYSA-N
Mol Weight 607.5 g/mol
Molecular Formula C28H24BrFN6O2S
Exact Mass 606.084886 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 831nnxof0E3
Name benzamide, N-[[5-[[2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H24BrFN6O2S/c1-35-25(16-31-27(38)20-5-3-2-4-6-20)32-33-28(35)39-17-26(37)36-24(19-9-13-22(30)14-10-19)15-23(34-36)18-7-11-21(29)12-8-18/h2-14,24H,15-17H2,1H3,(H,31,38)
InChIKey KHBKSCTZGHEJKO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6106
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/10266702