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2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8RrLSFN3vk5
InChI InChI=1S/C35H34N6O5S2/c1-22-8-5-9-24(18-22)40-31(20-36-34(43)30-12-7-17-47-30)37-38-35(40)48-21-32(42)41-28(26-10-6-11-29(45-3)33(26)46-4)19-27(39-41)23-13-15-25(44-2)16-14-23/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey SBYBKAGJEZUHCM-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 KOOD1yeFM3X
Name 2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-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/c1-22-8-5-9-24(18-22)40-31(20-36-34(43)30-12-7-17-47-30)37-38-35(40)48-21-32(42)41-28(26-10-6-11-29(45-3)33(26)46-4)19-27(39-41)23-13-15-25(44-2)16-14-23/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey SBYBKAGJEZUHCM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5545
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/10257238; Labnumber: F0514-4726