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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID LE4RmMlMe7a
InChI InChI=1S/C32H27FN6O3S2/c1-42-25-15-9-21(10-16-25)27-18-26(28-8-5-17-43-28)37-39(27)30(40)20-44-32-36-35-29(38(32)24-13-11-23(33)12-14-24)19-34-31(41)22-6-3-2-4-7-22/h2-17,27H,18-20H2,1H3,(H,34,41)
InChIKey CMBGZYUCSUUSMV-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C32H27FN6O3S2
Exact Mass 626.157009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Js3XXHEra2
Name benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-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/C32H27FN6O3S2/c1-42-25-15-9-21(10-16-25)27-18-26(28-8-5-17-43-28)37-39(27)30(40)20-44-32-36-35-29(38(32)24-13-11-23(33)12-14-24)19-34-31(41)22-6-3-2-4-7-22/h2-17,27H,18-20H2,1H3,(H,34,41)
InChIKey CMBGZYUCSUUSMV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6083
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/10266674