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benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID CFhPUwIRV0C
InChI InChI=1S/C34H32N6O3S2/c1-22-13-15-24(16-14-22)28-19-27(30-12-7-17-44-30)38-40(28)32(41)21-45-34-37-36-31(39(34)25-9-6-8-23(2)18-25)20-35-33(42)26-10-4-5-11-29(26)43-3/h4-18,28H,19-21H2,1-3H3,(H,35,42)
InChIKey AYYVBDBCBBEJHY-UHFFFAOYSA-N
Mol Weight 636.8 g/mol
Molecular Formula C34H32N6O3S2
Exact Mass 636.197731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3qvE5aE0QU
Name benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-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/C34H32N6O3S2/c1-22-13-15-24(16-14-22)28-19-27(30-12-7-17-44-30)38-40(28)32(41)21-45-34-37-36-31(39(34)25-9-6-8-23(2)18-25)20-35-33(42)26-10-4-5-11-29(26)43-3/h4-18,28H,19-21H2,1-3H3,(H,35,42)
InChIKey AYYVBDBCBBEJHY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5518
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/10257201; Labnumber: F0514-0831