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

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2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(E)-({(E)-[3-(trifluoromethyl)phenyl]methyl}imino)methyl]-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HjEHjctUx0B
InChI InChI=1S/C25H17F3N4OS/c26-25(27,28)18-10-6-7-16(13-18)14-29-15-19-22(17-8-2-1-3-9-17)31-32(23(19)33)24-30-20-11-4-5-12-21(20)34-24/h1-13,15,31H,14H2/b29-15+
InChIKey VKGDEASETKAAFZ-WKULSOCRSA-N
Mol Weight 478.49 g/mol
Molecular Formula C25H17F3N4OS
Exact Mass 478.107517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Jeaohgflg4
Name 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(E)-({(E)-[3-(trifluoromethyl)phenyl]methyl}imino)methyl]-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/C25H17F3N4OS/c26-25(27,28)18-10-6-7-16(13-18)14-29-15-19-22(17-8-2-1-3-9-17)31-32(23(19)33)24-30-20-11-4-5-12-21(20)34-24/h1-13,15,31H,14H2/b29-15+
InChIKey VKGDEASETKAAFZ-WKULSOCRSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15590
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/7113493; UBI_ID: UBI-015593
Synonyms 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[({[3-(trifluoromethyl)phenyl]methyl}imino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Temperature 313 °C