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benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 4jLwmPxGaDV
InChI InChI=1S/C35H34N6O5S2/c1-44-28-15-8-7-14-26(28)40-31(21-36-32(42)19-23-11-5-4-6-12-23)37-38-35(40)48-22-33(43)41-27(20-25(39-41)30-17-10-18-47-30)24-13-9-16-29(45-2)34(24)46-3/h4-18,27H,19-22H2,1-3H3,(H,36,42)
InChIKey LJJURNTVFKOQAS-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C35H34N6O5S2
Exact Mass 682.203211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHNc6eYVjFa
Name benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-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/C35H34N6O5S2/c1-44-28-15-8-7-14-26(28)40-31(21-36-32(42)19-23-11-5-4-6-12-23)37-38-35(40)48-22-33(43)41-27(20-25(39-41)30-17-10-18-47-30)24-13-9-16-29(45-2)34(24)46-3/h4-18,27H,19-22H2,1-3H3,(H,36,42)
InChIKey LJJURNTVFKOQAS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5455
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/10257107; Labnumber: F0514-3960