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(4E)-2-(1,3-benzothiazol-2-yl)-4-(2-toluidinomethylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(1,3-benzothiazol-2-yl)-4-(2-toluidinomethylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 2d1ABNo42mg
InChI InChI=1S/C19H13F3N4OS/c1-11-6-2-3-7-13(11)23-10-12-16(19(20,21)22)25-26(17(12)27)18-24-14-8-4-5-9-15(14)28-18/h2-10,23H,1H3/b12-10+
InChIKey PVVNVGTVVZZGQY-ZRDIBKRKSA-N
Mol Weight 402.4 g/mol
Molecular Formula C19H13F3N4OS
Exact Mass 402.076217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID COYjxYhhyul
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-(2-toluidinomethylene)-5-(trifluoromethyl)-2,4-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/C19H13F3N4OS/c1-11-6-2-3-7-13(11)23-10-12-16(19(20,21)22)25-26(17(12)27)18-24-14-8-4-5-9-15(14)28-18/h2-10,23H,1H3/b12-10+
InChIKey PVVNVGTVVZZGQY-ZRDIBKRKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17275
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: D26894; SBI_ID: SBI-017278
Synonyms 2-(1,3-benzothiazol-2-yl)-4-(2-toluidinomethylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 315 °C