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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 NMR

(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID BHkSmdnGvNm
InChI InChI=1S/C19H17F3N6OS/c1-12(24-7-4-9-27-10-8-23-11-27)15-16(19(20,21)22)26-28(17(15)29)18-25-13-5-2-3-6-14(13)30-18/h2-3,5-6,8,10-11,24H,4,7,9H2,1H3/b15-12+
InChIKey UIDOGKACTUAUDT-NTCAYCPXSA-N
Mol Weight 434.44 g/mol
Molecular Formula C19H17F3N6OS
Exact Mass 434.113665 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KjF4nZJCYzu
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}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/C19H17F3N6OS/c1-12(24-7-4-9-27-10-8-23-11-27)15-16(19(20,21)22)26-28(17(15)29)18-25-13-5-2-3-6-14(13)30-18/h2-3,5-6,8,10-11,24H,4,7,9H2,1H3/b15-12+
InChIKey UIDOGKACTUAUDT-NTCAYCPXSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3275
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/8084193; UBI_ID: UBI-003276
Synonyms 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C