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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-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8CpXkmatgkf
InChI InChI=1S/C33H32N6O5S3/c1-4-44-22-14-12-21(13-15-22)38-29(19-34-32(41)28-11-7-17-46-28)35-36-33(38)47-20-30(40)39-25(18-24(37-39)27-10-6-16-45-27)23-8-5-9-26(42-2)31(23)43-3/h5-17,25H,4,18-20H2,1-3H3,(H,34,41)
InChIKey YEFIDLLBRNPEML-UHFFFAOYSA-N
Mol Weight 688.8 g/mol
Molecular Formula C33H32N6O5S3
Exact Mass 688.159632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CdsluMjUrMQ
Name 2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-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/C33H32N6O5S3/c1-4-44-22-14-12-21(13-15-22)38-29(19-34-32(41)28-11-7-17-46-28)35-36-33(38)47-20-30(40)39-25(18-24(37-39)27-10-6-16-45-27)23-8-5-9-26(42-2)31(23)43-3/h5-17,25H,4,18-20H2,1-3H3,(H,34,41)
InChIKey YEFIDLLBRNPEML-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5552
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/10257246; Labnumber: F0514-4740