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3-isothiazolecarboxylic acid, 4-amino-5-[[(4-fluorophenyl)amino]carbonyl]-
SpectraBase Compound ID Jwj8dTMmkRA
InChI InChI=1S/C11H8FN3O3S/c12-5-1-3-6(4-2-5)14-10(16)9-7(13)8(11(17)18)15-19-9/h1-4H,13H2,(H,14,16)(H,17,18)
InChIKey CQEZCJLJIYUGMR-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C11H8FN3O3S
Exact Mass 281.02704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWeMwXZeHyS
Name 3-isothiazolecarboxylic acid, 4-amino-5-[[(4-fluorophenyl)amino]carbonyl]-
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/C11H8FN3O3S/c12-5-1-3-6(4-2-5)14-10(16)9-7(13)8(11(17)18)15-19-9/h1-4H,13H2,(H,14,16)(H,17,18)
InChIKey CQEZCJLJIYUGMR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6454
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: NMR/18251524; Labnumber: L17-0000015