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2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID Io4lTRhrmuO
InChI InChI=1S/C32H30N6O4S3/c1-20-8-4-9-21(16-20)37-28(18-33-31(40)27-13-7-15-44-27)34-35-32(37)45-19-29(39)38-24(17-23(36-38)26-12-6-14-43-26)22-10-5-11-25(41-2)30(22)42-3/h4-16,24H,17-19H2,1-3H3,(H,33,40)
InChIKey UDEAYGIRXBVYQQ-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C32H30N6O4S3
Exact Mass 658.149067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gtv8uaIM7fJ
Name 2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-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/C32H30N6O4S3/c1-20-8-4-9-21(16-20)37-28(18-33-31(40)27-13-7-15-44-27)34-35-32(37)45-19-29(39)38-24(17-23(36-38)26-12-6-14-43-26)22-10-5-11-25(41-2)30(22)42-3/h4-16,24H,17-19H2,1-3H3,(H,33,40)
InChIKey UDEAYGIRXBVYQQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5546
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/10257239; Labnumber: F0514-4728