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

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(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 5dvh5zeSxWC
InChI InChI=1S/C17H17F3N4O2S/c1-2-10(21-8-5-9-25)13-14(17(18,19)20)23-24(15(13)26)16-22-11-6-3-4-7-12(11)27-16/h3-4,6-7,21,25H,2,5,8-9H2,1H3/b13-10+
InChIKey OAMWDXKYNCNFCU-JLHYYAGUSA-N
Mol Weight 398.4 g/mol
Molecular Formula C17H17F3N4O2S
Exact Mass 398.102431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AIeQtI1eFPa
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]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/C17H17F3N4O2S/c1-2-10(21-8-5-9-25)13-14(17(18,19)20)23-24(15(13)26)16-22-11-6-3-4-7-12(11)27-16/h3-4,6-7,21,25H,2,5,8-9H2,1H3/b13-10+
InChIKey OAMWDXKYNCNFCU-JLHYYAGUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17012
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/9021997; UBI_ID: UBI-017015
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C