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(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(propylamino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID JCwbneI3IJY
InChI InChI=1S/C17H17F3N4OS/c1-3-9-21-10(4-2)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-8,21H,3-4,9H2,1-2H3/b13-10-
InChIKey VAVOKUBQGBVQGY-RAXLEYEMSA-N
Mol Weight 382.41 g/mol
Molecular Formula C17H17F3N4OS
Exact Mass 382.107517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85nytztzWkM
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(propylamino)propylidene]-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/C17H17F3N4OS/c1-3-9-21-10(4-2)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-8,21H,3-4,9H2,1-2H3/b13-10-
InChIKey VAVOKUBQGBVQGY-RAXLEYEMSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7766
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/9011044; UBI_ID: UBI-007769
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[1-(propylamino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C