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(5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID LRStLxHhICL
InChI InChI=1S/C28H23F3N4O4S/c29-28(30,31)21-2-1-3-23(17-21)33-12-14-34(15-13-33)27-32-26(36)25(40-27)16-19-6-10-24(11-7-19)39-18-20-4-8-22(9-5-20)35(37)38/h1-11,16-17H,12-15,18H2/b25-16+
InChIKey JVUXJWJLKMSBBQ-PCLIKHOPSA-N
Mol Weight 568.57 g/mol
Molecular Formula C28H23F3N4O4S
Exact Mass 568.139211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ufBu4nj8cl
Name (5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-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/C28H23F3N4O4S/c29-28(30,31)21-2-1-3-23(17-21)33-12-14-34(15-13-33)27-32-26(36)25(40-27)16-19-6-10-24(11-7-19)39-18-20-4-8-22(9-5-20)35(37)38/h1-11,16-17H,12-15,18H2/b25-16+
InChIKey JVUXJWJLKMSBBQ-PCLIKHOPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21091
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: D51763; Labnumber: VLMK0130; SBI_ID: SBI-021095
Synonyms 5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
Temperature 318 °C