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(2E)-2-[5-(3-chloro-4-methylbenzyl)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide
SpectraBase Compound ID 9vwnPTqMyg
InChI InChI=1S/C28H24ClN3O2S/c1-17-7-11-21(12-8-17)31-26(33)23(16-30)28-32(22-6-4-5-18(2)13-22)27(34)25(35-28)15-20-10-9-19(3)24(29)14-20/h4-14,25H,15H2,1-3H3,(H,31,33)/b28-23+
InChIKey PMUNXMDQBJKEBN-WEMUOSSPSA-N
Mol Weight 502.03 g/mol
Molecular Formula C28H24ClN3O2S
Exact Mass 501.127776 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 93tKeoEKPzX
Name (2E)-2-[5-(3-chloro-4-methylbenzyl)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)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/C28H24ClN3O2S/c1-17-7-11-21(12-8-17)31-26(33)23(16-30)28-32(22-6-4-5-18(2)13-22)27(34)25(35-28)15-20-10-9-19(3)24(29)14-20/h4-14,25H,15H2,1-3H3,(H,31,33)/b28-23+
InChIKey PMUNXMDQBJKEBN-WEMUOSSPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11911
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: D66110; Labnumber: EXP17Mat001831; SBI_ID: SBI-011914
Synonyms 2-[5-(3-chloro-4-methylbenzyl)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide
Temperature 308 °C