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2-(1,3-benzothiazol-2-yl)-4-{(E)-[(E)-propylimino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID AtGvwRhUXEh
InChI InChI=1S/C15H13F3N4OS/c1-2-7-19-8-9-12(15(16,17)18)21-22(13(9)23)14-20-10-5-3-4-6-11(10)24-14/h3-6,8,21H,2,7H2,1H3/b19-8+
InChIKey MGGKYGSPRJNPIV-UFWORHAWSA-N
Mol Weight 354.35 g/mol
Molecular Formula C15H13F3N4OS
Exact Mass 354.076217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B0BoHjkKBHj
Name 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(E)-propylimino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
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/C15H13F3N4OS/c1-2-7-19-8-9-12(15(16,17)18)21-22(13(9)23)14-20-10-5-3-4-6-11(10)24-14/h3-6,8,21H,2,7H2,1H3/b19-8+
InChIKey MGGKYGSPRJNPIV-UFWORHAWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1252
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/7116567; UBI_ID: UBI-001253
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{[propylimino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C