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4-[(E)-(4-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
SpectraBase Compound ID 8ne6YSYpyO8
InChI InChI=1S/C27H22F3N3O4S2/c28-27(29,30)20-5-4-6-21(18-20)32-13-15-33(16-14-32)26-31-25(34)24(38-26)17-19-9-11-22(12-10-19)37-39(35,36)23-7-2-1-3-8-23/h1-12,17-18H,13-16H2/b24-17+
InChIKey ZKPCQYHBTXGGRO-JJIBRWJFSA-N
Mol Weight 573.61 g/mol
Molecular Formula C27H22F3N3O4S2
Exact Mass 573.100383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fq60nbN3tG6
Name 4-[(E)-(4-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
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/C27H22F3N3O4S2/c28-27(29,30)20-5-4-6-21(18-20)32-13-15-33(16-14-32)26-31-25(34)24(38-26)17-19-9-11-22(12-10-19)37-39(35,36)23-7-2-1-3-8-23/h1-12,17-18H,13-16H2/b24-17+
InChIKey ZKPCQYHBTXGGRO-JJIBRWJFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21092
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: D51764; Labnumber: VLMK0134; SBI_ID: SBI-021096
Synonyms 4-[(4-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
Temperature 318 °C