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(2E)-2-cyano-N-(4-fluorophenyl)-2-[5-(2-methylbenzyl)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
SpectraBase Compound ID BJBQ4MlpfF5
InChI InChI=1S/C27H22FN3O2S/c1-17-7-13-22(14-8-17)31-26(33)24(15-19-6-4-3-5-18(19)2)34-27(31)23(16-29)25(32)30-21-11-9-20(28)10-12-21/h3-14,24H,15H2,1-2H3,(H,30,32)/b27-23+
InChIKey INLUVTYIVDHHOL-SLEBQGDGSA-N
Mol Weight 471.55 g/mol
Molecular Formula C27H22FN3O2S
Exact Mass 471.141676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7CNKKdUFSLv
Name (2E)-2-cyano-N-(4-fluorophenyl)-2-[5-(2-methylbenzyl)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]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/C27H22FN3O2S/c1-17-7-13-22(14-8-17)31-26(33)24(15-19-6-4-3-5-18(19)2)34-27(31)23(16-29)25(32)30-21-11-9-20(28)10-12-21/h3-14,24H,15H2,1-2H3,(H,30,32)/b27-23+
InChIKey INLUVTYIVDHHOL-SLEBQGDGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20896
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: D50920; Labnumber: EXP17Mat001811; SBI_ID: SBI-020900
Synonyms 2-cyano-N-(4-fluorophenyl)-2-[5-(2-methylbenzyl)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Temperature 318 °C