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

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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LIPvjC5fQsS
InChI InChI=1S/C20H22F3N5O2S/c1-13(24-7-4-8-27-9-11-30-12-10-27)16-17(20(21,22)23)26-28(18(16)29)19-25-14-5-2-3-6-15(14)31-19/h2-3,5-6,24H,4,7-12H2,1H3/b16-13+
InChIKey YRYACSYHFANNIB-DTQAZKPQSA-N
Mol Weight 453.48 g/mol
Molecular Formula C20H22F3N5O2S
Exact Mass 453.144631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 49QNYBqMBNi
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(4-morpholinyl)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/C20H22F3N5O2S/c1-13(24-7-4-8-27-9-11-30-12-10-27)16-17(20(21,22)23)26-28(18(16)29)19-25-14-5-2-3-6-15(14)31-19/h2-3,5-6,24H,4,7-12H2,1H3/b16-13+
InChIKey YRYACSYHFANNIB-DTQAZKPQSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16188
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/8078291; UBI_ID: UBI-016191
Synonyms 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C