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(5Z)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID 3xdDgoTHxBY
InChI InChI=1S/C21H17F3N4O3S/c22-21(23,24)15-4-2-5-16(13-15)26-7-9-27(10-8-26)20-25-19(29)18(32-20)12-14-3-1-6-17(11-14)28(30)31/h1-6,11-13H,7-10H2/b18-12-
InChIKey CUUDIJMXJXFKCT-PDGQHHTCSA-N
Mol Weight 462.45 g/mol
Molecular Formula C21H17F3N4O3S
Exact Mass 462.097346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1HK1J6FNncN
Name (5Z)-5-(3-nitrobenzylidene)-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/C21H17F3N4O3S/c22-21(23,24)15-4-2-5-16(13-15)26-7-9-27(10-8-26)20-25-19(29)18(32-20)12-14-3-1-6-17(11-14)28(30)31/h1-6,11-13H,7-10H2/b18-12-
InChIKey CUUDIJMXJXFKCT-PDGQHHTCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9078
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: D52940; Labnumber: VLMK0162; SBI_ID: SBI-009081
Synonyms 5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
Temperature 318 °C