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ethyl 1-(3-bromophenyl)-5-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 9XZhHVtRCJ5
InChI InChI=1S/C21H15BrClN3O3S/c1-2-29-21(28)15-11-24-26(13-7-5-6-12(22)10-13)19(15)25-20(27)18-17(23)14-8-3-4-9-16(14)30-18/h3-11H,2H2,1H3,(H,25,27)
InChIKey QZLKACGHERGHDW-UHFFFAOYSA-N
Mol Weight 504.79 g/mol
Molecular Formula C21H15BrClN3O3S
Exact Mass 502.970603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 93C6JCb3qPt
Name ethyl 1-(3-bromophenyl)-5-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-1H-pyrazole-4-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/C21H15BrClN3O3S/c1-2-29-21(28)15-11-24-26(13-7-5-6-12(22)10-13)19(15)25-20(27)18-17(23)14-8-3-4-9-16(14)30-18/h3-11H,2H2,1H3,(H,25,27)
InChIKey QZLKACGHERGHDW-UHFFFAOYSA-N
NMR Offset 18.9247
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2320
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: 9312460; UBI_ID: UBI-002321
Temperature 313 °C