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2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-(4-chlorophenyl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 NMR

2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-(4-chlorophenyl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID fxGskI8Wkk
InChI InChI=1S/C19H12ClF3N4OS/c20-12-7-5-11(6-8-12)9-24-10-13-16(19(21,22)23)26-27(17(13)28)18-25-14-3-1-2-4-15(14)29-18/h1-8,10,26H,9H2/b24-10+
InChIKey BABRVIJCSMJRKH-YSURURNPSA-N
Mol Weight 436.84 g/mol
Molecular Formula C19H12ClF3N4OS
Exact Mass 436.037244 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JU0BFgVz2gI
Name 2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-(4-chlorophenyl)methyl]imino}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/C19H12ClF3N4OS/c20-12-7-5-11(6-8-12)9-24-10-13-16(19(21,22)23)26-27(17(13)28)18-25-14-3-1-2-4-15(14)29-18/h1-8,10,26H,9H2/b24-10+
InChIKey BABRVIJCSMJRKH-YSURURNPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1642
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/7108733; Labnumber: AF-0000515; UZI_ID: UZI-001644
Synonyms 2-(1,3-benzothiazol-2-yl)-4-({[(4-chlorophenyl)methyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 313 °C