![4-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-2-propenoyl}amino)butanoic acid](/api/spectrum/8AxiCsG4rgX/structure.png?h=300&w=458 "4-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-2-propenoyl}amino)butanoic acid")
| SpectraBase Compound ID | JMtZgKy7ApS |
|---|---|
| InChI | InChI=1S/C22H22N2O6/c1-14-4-7-16(8-5-14)21(27)24-17(22(28)23-10-2-3-20(25)26)11-15-6-9-18-19(12-15)30-13-29-18/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,28)(H,24,27)(H,25,26)/b17-11- |
| InChIKey | MFFXOOXTHVWALD-BOPFTXTBSA-N |
| Mol Weight | 410.43 g/mol |
| Molecular Formula | C22H22N2O6 |
| Exact Mass | 410.147786 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8AxiCsG4rgX |
|---|---|
| Name | 4-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-2-propenoyl}amino)butanoic 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 | 410.147786430 u |
| Formula | C22H22N2O6 |
| InChI | InChI=1S/C22H22N2O6/c1-14-4-7-16(8-5-14)21(27)24-17(22(28)23-10-2-3-20(25)26)11-15-6-9-18-19(12-15)30-13-29-18/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,28)(H,24,27)(H,25,26)/b17-11- |
| InChIKey | MFFXOOXTHVWALD-BOPFTXTBSA-N |
| Molecular Weight | 410.426 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1938 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278670 |