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3H-pyrazol-3-one, 4-(aminomethylene)-2-(2-benzothiazolyl)-2,4-dihydro-5-(trifluoromethyl)-, (4E)-
SpectraBase Compound ID HgLKHwhmjfG
InChI InChI=1S/C12H7F3N4OS/c13-12(14,15)9-6(5-16)10(20)19(18-9)11-17-7-3-1-2-4-8(7)21-11/h1-5H,16H2/b6-5+
InChIKey BHILJLHEMCRAML-AATRIKPKSA-N
Mol Weight 312.27 g/mol
Molecular Formula C12H7F3N4OS
Exact Mass 312.029267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQ9bQ37JNqV
Name 3H-pyrazol-3-one, 4-(aminomethylene)-2-(2-benzothiazolyl)-2,4-dihydro-5-(trifluoromethyl)-, (4E)-
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/C12H7F3N4OS/c13-12(14,15)9-6(5-16)10(20)19(18-9)11-17-7-3-1-2-4-8(7)21-11/h1-5H,16H2/b6-5+
InChIKey BHILJLHEMCRAML-AATRIKPKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_198
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/11249937