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

View entire compound with spectra: 1 NMR

benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 3DEibMmYTeQ
InChI InChI=1S/C36H33FN6O5S/c1-46-27-18-12-23(13-19-27)29-20-30(28-10-7-11-31(47-2)34(28)48-3)43(41-29)33(44)22-49-36-40-39-32(42(36)26-16-14-25(37)15-17-26)21-38-35(45)24-8-5-4-6-9-24/h4-19,30H,20-22H2,1-3H3,(H,38,45)
InChIKey IRBSYMMDEBEFGS-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C36H33FN6O5S
Exact Mass 680.221718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CpYzoQFzdpo
Name benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C36H33FN6O5S/c1-46-27-18-12-23(13-19-27)29-20-30(28-10-7-11-31(47-2)34(28)48-3)43(41-29)33(44)22-49-36-40-39-32(42(36)26-16-14-25(37)15-17-26)21-38-35(45)24-8-5-4-6-9-24/h4-19,30H,20-22H2,1-3H3,(H,38,45)
InChIKey IRBSYMMDEBEFGS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6084
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/10266675