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3-methyl-5-(4-nitroanilino)-4-isothiazolecarbonitrile

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3-methyl-5-(4-nitroanilino)-4-isothiazolecarbonitrile
SpectraBase Compound ID LAGArspBBFm
InChI InChI=1S/C11H8N4O2S/c1-7-10(6-12)11(18-14-7)13-8-2-4-9(5-3-8)15(16)17/h2-5,13H,1H3
InChIKey WGOSQVWTSRIFNY-UHFFFAOYSA-N
Mol Weight 260.27 g/mol
Molecular Formula C11H8N4O2S
Exact Mass 260.036797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KEmf4qBLXDy
Name 3-methyl-5-(4-nitroanilino)-4-isothiazolecarbonitrile
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/C11H8N4O2S/c1-7-10(6-12)11(18-14-7)13-8-2-4-9(5-3-8)15(16)17/h2-5,13H,1H3
InChIKey WGOSQVWTSRIFNY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6114
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/1025051; Labnumber: COL0911; UZI_ID: UZI-006116
Temperature 318 °C