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(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LesXOop6KM
InChI InChI=1S/C20H15F3N4OS/c1-11-7-9-13(10-8-11)24-12(2)16-17(20(21,22)23)26-27(18(16)28)19-25-14-5-3-4-6-15(14)29-19/h3-10,24H,1-2H3/b16-12+
InChIKey MVMYUMHYRYIKAZ-FOWTUZBSSA-N
Mol Weight 416.42 g/mol
Molecular Formula C20H15F3N4OS
Exact Mass 416.091867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FOuVzg2MLZ4
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-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/C20H15F3N4OS/c1-11-7-9-13(10-8-11)24-12(2)16-17(20(21,22)23)26-27(18(16)28)19-25-14-5-3-4-6-15(14)29-19/h3-10,24H,1-2H3/b16-12+
InChIKey MVMYUMHYRYIKAZ-FOWTUZBSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1273
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: 700686VOR8-8413; Labnumber: 700686VOR8-8413; VK_ID: VK-001274
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C