SpectraBase Compound ID | HA93urGedAB |
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InChI | InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9- |
InChIKey | NMHDSRSSYCCXAU-DURWOYGOSA-N |
Mol Weight | 436.48 g/mol |
Molecular Formula | C23H20N2O5S |
Exact Mass | 436.109293 g/mol |
SpectraBase Spectrum ID | 4P92fXC88vI |
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Name | 4-[(4-{(5Z)-2,4-dioxo-5-[(2E)-3-phenyl-2-propenylidene]-1,3-thiazolidin-3-yl}butanoyl)amino]benzoic acid |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 436.109292921 u |
Formula | C23H20N2O5S |
InChI | InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9- |
InChIKey | NMHDSRSSYCCXAU-DURWOYGOSA-N |
Molecular Weight | 436.482 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_493 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12268315 |