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benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID Et1kOlrvcGh
InChI InChI=1S/C36H36N6O5S2/c1-45-29-15-8-7-13-26(29)35(44)37-22-32-38-39-36(41(32)19-18-24-11-5-4-6-12-24)49-23-33(43)42-28(21-27(40-42)31-17-10-20-48-31)25-14-9-16-30(46-2)34(25)47-3/h4-17,20,28H,18-19,21-23H2,1-3H3,(H,37,44)
InChIKey OGLLGALLSNAUFT-UHFFFAOYSA-N
Mol Weight 696.8 g/mol
Molecular Formula C36H36N6O5S2
Exact Mass 696.218861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5UVi31a57N
Name benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
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/C36H36N6O5S2/c1-45-29-15-8-7-13-26(29)35(44)37-22-32-38-39-36(41(32)19-18-24-11-5-4-6-12-24)49-23-33(43)42-28(21-27(40-42)31-17-10-20-48-31)25-14-9-16-30(46-2)34(25)47-3/h4-17,20,28H,18-19,21-23H2,1-3H3,(H,37,44)
InChIKey OGLLGALLSNAUFT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5574
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/10257275; Labnumber: F0514-5517