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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-phenyl-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID AWuWHwts8DA
InChI InChI=1S/C37H36N6O6S/c1-46-26-19-17-24(18-20-26)29-21-30(27-14-10-16-32(48-3)35(27)49-4)43(41-29)34(44)23-50-37-40-39-33(42(37)25-11-6-5-7-12-25)22-38-36(45)28-13-8-9-15-31(28)47-2/h5-20,30H,21-23H2,1-4H3,(H,38,45)
InChIKey AXHAKAJSFBDBRB-UHFFFAOYSA-N
Mol Weight 692.8 g/mol
Molecular Formula C37H36N6O6S
Exact Mass 692.241704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62AAcnLvGYX
Name benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
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/C37H36N6O6S/c1-46-26-19-17-24(18-20-26)29-21-30(27-14-10-16-32(48-3)35(27)49-4)43(41-29)34(44)23-50-37-40-39-33(42(37)25-11-6-5-7-12-25)22-38-36(45)28-13-8-9-15-31(28)47-2/h5-20,30H,21-23H2,1-4H3,(H,38,45)
InChIKey AXHAKAJSFBDBRB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5506
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/10257174; Labnumber: F0514-0730