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(2Z,5E)-3-cyclohexyl-5-[4-(1,3-dihydro-2H-isoindol-2-yl)benzylidene]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
SpectraBase Compound ID KrLKLcPNbla
InChI InChI=1S/C31H31N3O2S/c1-36-28-17-13-25(14-18-28)32-31-34(27-9-3-2-4-10-27)30(35)29(37-31)19-22-11-15-26(16-12-22)33-20-23-7-5-6-8-24(23)21-33/h5-8,11-19,27H,2-4,9-10,20-21H2,1H3/b29-19+,32-31-
InChIKey DSTJHMIGNCPTDJ-KQDKSACUSA-N
Mol Weight 509.67 g/mol
Molecular Formula C31H31N3O2S
Exact Mass 509.213698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ei6mDlRm0l
Name (2Z,5E)-3-cyclohexyl-5-[4-(1,3-dihydro-2H-isoindol-2-yl)benzylidene]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
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/C31H31N3O2S/c1-36-28-17-13-25(14-18-28)32-31-34(27-9-3-2-4-10-27)30(35)29(37-31)19-22-11-15-26(16-12-22)33-20-23-7-5-6-8-24(23)21-33/h5-8,11-19,27H,2-4,9-10,20-21H2,1H3/b29-19+,32-31-
InChIKey DSTJHMIGNCPTDJ-KQDKSACUSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20741
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: UZI/9312598; UBI_ID: UBI-020745
Synonyms 3-cyclohexyl-5-[4-(1,3-dihydro-2H-isoindol-2-yl)benzylidene]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
Temperature 313 °C