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(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-([1,1'-biphenyl]-2-ylamino)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-([1,1'-biphenyl]-2-ylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 3I2Py5WxHBu
InChI InChI=1S/C25H17F3N4OS/c1-15(29-18-12-6-5-11-17(18)16-9-3-2-4-10-16)21-22(25(26,27)28)31-32(23(21)33)24-30-19-13-7-8-14-20(19)34-24/h2-14,29H,1H3/b21-15+
InChIKey ITCXOVNITXGFER-RCCKNPSSSA-N
Mol Weight 478.49 g/mol
Molecular Formula C25H17F3N4OS
Exact Mass 478.107517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 267ZHOEC7jG
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-([1,1'-biphenyl]-2-ylamino)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/C25H17F3N4OS/c1-15(29-18-12-6-5-11-17(18)16-9-3-2-4-10-16)21-22(25(26,27)28)31-32(23(21)33)24-30-19-13-7-8-14-20(19)34-24/h2-14,29H,1H3/b21-15+
InChIKey ITCXOVNITXGFER-RCCKNPSSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16268
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/8089142; UBI_ID: UBI-016271
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[1-([1,1'-biphenyl]-2-ylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 315 °C