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methyl 3-chloro-6-({[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-benzothiophene-2-carboxylate
SpectraBase Compound ID Fr1jg9gA9c
InChI InChI=1S/C21H16ClN3O4S/c1-28-13-6-3-11(4-7-13)15-10-16(25-24-15)20(26)23-12-5-8-14-17(9-12)30-19(18(14)22)21(27)29-2/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKey HRQXFLUPQXYDPQ-UHFFFAOYSA-N
Mol Weight 441.89 g/mol
Molecular Formula C21H16ClN3O4S
Exact Mass 441.055005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7I61vmqKwnL
Name methyl 3-chloro-6-({[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-benzothiophene-2-carboxylate
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/C21H16ClN3O4S/c1-28-13-6-3-11(4-7-13)15-10-16(25-24-15)20(26)23-12-5-8-14-17(9-12)30-19(18(14)22)21(27)29-2/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKey HRQXFLUPQXYDPQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30163
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: 1700474; SBI_ID: SBI-030167
Temperature 308 °C