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3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 7UgZ4yuSEF8
InChI InChI=1S/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)
InChIKey ZFDFIAYSTPISLG-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C13H11N5O6S2
Exact Mass 397.015075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GB7UpR1zMTs
Name 3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-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/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)
InChIKey ZFDFIAYSTPISLG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3877
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/9126775; Labnumber: BAC_UAMK/020150; UZI_ID: UZI-003879
Temperature 308 °C