![2,3-dimethoxy-6-[(E)-((2Z)-2-{4-oxo-5-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-2-ylidene}hydrazono)methyl]benzoic acid](/api/spectrum/B7BKbBTPgVc/structure.png?h=300&w=458 "2,3-dimethoxy-6-[(E)-((2Z)-2-{4-oxo-5-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-2-ylidene}hydrazono)methyl]benzoic acid")
| SpectraBase Compound ID | 1AqP8FS51Do |
|---|---|
| InChI | InChI=1S/C22H22N4O6S/c1-12-4-7-14(8-5-12)24-17(27)10-16-20(28)25-22(33-16)26-23-11-13-6-9-15(31-2)19(32-3)18(13)21(29)30/h4-9,11,16H,10H2,1-3H3,(H,24,27)(H,29,30)(H,25,26,28)/b23-11+ |
| InChIKey | JYSLTCGRZLVMEU-FOKLQQMPSA-N |
| Mol Weight | 470.5 g/mol |
| Molecular Formula | C22H22N4O6S |
| Exact Mass | 470.126006 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | B7BKbBTPgVc |
|---|---|
| Name | 2,3-dimethoxy-6-[(E)-((2Z)-2-{4-oxo-5-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-2-ylidene}hydrazono)methyl]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 | 470.126005612 u |
| Formula | C22H22N4O6S |
| InChI | InChI=1S/C22H22N4O6S/c1-12-4-7-14(8-5-12)24-17(27)10-16-20(28)25-22(33-16)26-23-11-13-6-9-15(31-2)19(32-3)18(13)21(29)30/h4-9,11,16H,10H2,1-3H3,(H,24,27)(H,29,30)(H,25,26,28)/b23-11+ |
| InChIKey | JYSLTCGRZLVMEU-FOKLQQMPSA-N |
| Molecular Weight | 470.500 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_459 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12268244 |