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(2E)-2-[(5E)-5-(3-bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-isopropylphenyl)ethanamide
SpectraBase Compound ID Kdrjg6VVD4C
InChI InChI=1S/C28H22BrN3O2S/c1-18(2)20-11-13-22(14-12-20)31-26(33)24(17-30)28-32(23-9-4-3-5-10-23)27(34)25(35-28)16-19-7-6-8-21(29)15-19/h3-16,18H,1-2H3,(H,31,33)/b25-16+,28-24+
InChIKey PXFCPAMOWQTSTG-CZRYGKRYSA-N
Mol Weight 544.47 g/mol
Molecular Formula C28H22BrN3O2S
Exact Mass 543.061611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ieCSQVB3n5
Name (2E)-2-[(5E)-5-(3-bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-isopropylphenyl)ethanamide
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/C28H22BrN3O2S/c1-18(2)20-11-13-22(14-12-20)31-26(33)24(17-30)28-32(23-9-4-3-5-10-23)27(34)25(35-28)16-19-7-6-8-21(29)15-19/h3-16,18H,1-2H3,(H,31,33)/b25-16+,28-24+
InChIKey PXFCPAMOWQTSTG-CZRYGKRYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26834
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: D66604; Labnumber: EXP17Mat001113; SBI_ID: SBI-026838
Synonyms 2-[5-(3-bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-isopropylphenyl)ethanamide
Temperature 308 °C