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2-thiophenecarboxamide, 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: 1 NMR

2-thiophenecarboxamide, 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 2FaoLI3LvcX
InChI InChI=1S/C26H22BrFN6O2S2/c1-33-23(14-29-25(36)22-3-2-12-37-22)30-31-26(33)38-15-24(35)34-21(17-6-10-19(28)11-7-17)13-20(32-34)16-4-8-18(27)9-5-16/h2-12,21H,13-15H2,1H3,(H,29,36)
InChIKey WAFBUXYJHYQUSH-UHFFFAOYSA-N
Mol Weight 613.52 g/mol
Molecular Formula C26H22BrFN6O2S2
Exact Mass 612.041307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 52FTvg8kMmU
Name 2-thiophenecarboxamide, 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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H22BrFN6O2S2/c1-33-23(14-29-25(36)22-3-2-12-37-22)30-31-26(33)38-15-24(35)34-21(17-6-10-19(28)11-7-17)13-20(32-34)16-4-8-18(27)9-5-16/h2-12,21H,13-15H2,1H3,(H,29,36)
InChIKey WAFBUXYJHYQUSH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5557
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/10257251; Labnumber: F0514-4745