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(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID kYHMldWWZZ
InChI InChI=1S/C16H15F3N4O2S/c1-2-9(20-7-8-24)12-13(16(17,18)19)22-23(14(12)25)15-21-10-5-3-4-6-11(10)26-15/h3-6,20,24H,2,7-8H2,1H3/b12-9+
InChIKey JUDTYBOCPDWLAV-FMIVXFBMSA-N
Mol Weight 384.38 g/mol
Molecular Formula C16H15F3N4O2S
Exact Mass 384.086781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXknvP9VIwj
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)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/C16H15F3N4O2S/c1-2-9(20-7-8-24)12-13(16(17,18)19)22-23(14(12)25)15-21-10-5-3-4-6-11(10)26-15/h3-6,20,24H,2,7-8H2,1H3/b12-9+
InChIKey JUDTYBOCPDWLAV-FMIVXFBMSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5336
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/8151276; UBI_ID: UBI-005338
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C