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(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(1-pyrrolidinyl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HefB83VtBj6
InChI InChI=1S/C17H15F3N4OS/c1-10(23-8-4-5-9-23)13-14(17(18,19)20)22-24(15(13)25)16-21-11-6-2-3-7-12(11)26-16/h2-3,6-7H,4-5,8-9H2,1H3/b13-10-
InChIKey LTCCDHVESPODMN-RAXLEYEMSA-N
Mol Weight 380.39 g/mol
Molecular Formula C17H15F3N4OS
Exact Mass 380.091867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 55roRDxPwH8
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(1-pyrrolidinyl)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/C17H15F3N4OS/c1-10(23-8-4-5-9-23)13-14(17(18,19)20)22-24(15(13)25)16-21-11-6-2-3-7-12(11)26-16/h2-3,6-7H,4-5,8-9H2,1H3/b13-10-
InChIKey LTCCDHVESPODMN-RAXLEYEMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1226
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/7112076; UBI_ID: UBI-001227
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[1-(1-pyrrolidinyl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C