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2,4-thiophenedicarboxylic acid, 5-[[[[4-(3-chlorophenyl)-5-[[(phenoxyacetyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester

View entire compound with spectra: 1 NMR

2,4-thiophenedicarboxylic acid, 5-[[[[4-(3-chlorophenyl)-5-[[(phenoxyacetyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID Kzt9ojk9BsC
InChI InChI=1S/C30H30ClN5O7S2/c1-4-41-28(39)25-18(3)26(29(40)42-5-2)45-27(25)33-24(38)17-44-30-35-34-22(36(30)20-11-9-10-19(31)14-20)15-32-23(37)16-43-21-12-7-6-8-13-21/h6-14H,4-5,15-17H2,1-3H3,(H,32,37)(H,33,38)
InChIKey NYXTVJHUKXMZMC-UHFFFAOYSA-N
Mol Weight 672.17 g/mol
Molecular Formula C30H30ClN5O7S2
Exact Mass 671.127518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkeAhKjWvYT
Name 2,4-thiophenedicarboxylic acid, 5-[[[[4-(3-chlorophenyl)-5-[[(phenoxyacetyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
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/C30H30ClN5O7S2/c1-4-41-28(39)25-18(3)26(29(40)42-5-2)45-27(25)33-24(38)17-44-30-35-34-22(36(30)20-11-9-10-19(31)14-20)15-32-23(37)16-43-21-12-7-6-8-13-21/h6-14H,4-5,15-17H2,1-3H3,(H,32,37)(H,33,38)
InChIKey NYXTVJHUKXMZMC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6670
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/10278680