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(5E)-2-(4-acetyl-1-piperazinyl)-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID BlnEHwc71Sk
InChI InChI=1S/C21H18F3N3O3S/c1-13(28)26-7-9-27(10-8-26)20-25-19(29)18(31-20)12-16-5-6-17(30-16)14-3-2-4-15(11-14)21(22,23)24/h2-6,11-12H,7-10H2,1H3/b18-12+
InChIKey AZHUARHLUJEDRI-LDADJPATSA-N
Mol Weight 449.45 g/mol
Molecular Formula C21H18F3N3O3S
Exact Mass 449.102097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ygDdNX5XqK
Name (5E)-2-(4-acetyl-1-piperazinyl)-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-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/C21H18F3N3O3S/c1-13(28)26-7-9-27(10-8-26)20-25-19(29)18(31-20)12-16-5-6-17(30-16)14-3-2-4-15(11-14)21(22,23)24/h2-6,11-12H,7-10H2,1H3/b18-12+
InChIKey AZHUARHLUJEDRI-LDADJPATSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12362
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: D71853; Labnumber: VLMK0443; SBI_ID: SBI-012365
Synonyms 2-(4-acetyl-1-piperazinyl)-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
Temperature 304 °C