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3-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-6-methyl-1-benzothiophene-2-carboxamide
SpectraBase Compound ID J2LsjjRifrb
InChI InChI=1S/C21H18ClN3O4S2/c1-11-4-9-16-17(10-11)30-19(18(16)22)20(26)23-14-5-7-15(8-6-14)31(27,28)25-21-12(2)13(3)24-29-21/h4-10,25H,1-3H3,(H,23,26)
InChIKey FXPNDQQBSGQVQL-UHFFFAOYSA-N
Mol Weight 475.97 g/mol
Molecular Formula C21H18ClN3O4S2
Exact Mass 475.042726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5OWdP6tUjRX
Name 3-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-6-methyl-1-benzothiophene-2-carboxamide
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/C21H18ClN3O4S2/c1-11-4-9-16-17(10-11)30-19(18(16)22)20(26)23-14-5-7-15(8-6-14)31(27,28)25-21-12(2)13(3)24-29-21/h4-10,25H,1-3H3,(H,23,26)
InChIKey FXPNDQQBSGQVQL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19478
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: UZI/9298515; Labnumber: U_AMK_AC/018243; UZI_ID: UZI-019485
Temperature 318 °C