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(5E)-2-(4-benzhydryl-1-piperazinyl)-5-(4-bromobenzylidene)-1,3-thiazol-4(5H)-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

(5E)-2-(4-benzhydryl-1-piperazinyl)-5-(4-bromobenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID 43FK9b9WWi
InChI InChI=1S/C27H24BrN3OS/c28-23-13-11-20(12-14-23)19-24-26(32)29-27(33-24)31-17-15-30(16-18-31)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,25H,15-18H2/b24-19+
InChIKey MGQIQXSHJKPQRD-LYBHJNIJSA-N
Mol Weight 518.47 g/mol
Molecular Formula C27H24BrN3OS
Exact Mass 517.082347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BnDXqtpamnA
Name 4(5H)-thiazolone, 5-[(4-bromophenyl)methylene]-2-[4-(diphenylmethyl)-1-piperazinyl]-, (5E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H24BrN3OS/c28-23-13-11-20(12-14-23)19-24-26(32)29-27(33-24)31-17-15-30(16-18-31)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,25H,15-18H2/b24-19+
InChIKey MGQIQXSHJKPQRD-LYBHJNIJSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_2051
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: NMR/9243921; Labnumber: LD-F000019
Temperature 297 °C