![beta-alanine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-1-oxo-2-propenyl]-](/api/spectrum/EdGWKGUsAI3/structure.png?h=300&w=458 "beta-alanine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-1-oxo-2-propenyl]-")
| SpectraBase Compound ID | 4d5j6f4QSEc |
|---|---|
| InChI | InChI=1S/C21H20N2O6/c1-13-2-5-15(6-3-13)20(26)23-16(21(27)22-9-8-19(24)25)10-14-4-7-17-18(11-14)29-12-28-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b16-10- |
| InChIKey | AQCNYSJSOWJBIY-YBEGLDIGSA-N |
| Mol Weight | 396.4 g/mol |
| Molecular Formula | C21H20N2O6 |
| Exact Mass | 396.132136 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | EdGWKGUsAI3 |
|---|---|
| Name | beta-alanine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]-1-oxo-2-propenyl]- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.132136366 u |
| Formula | C21H20N2O6 |
| InChI | InChI=1S/C21H20N2O6/c1-13-2-5-15(6-3-13)20(26)23-16(21(27)22-9-8-19(24)25)10-14-4-7-17-18(11-14)29-12-28-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b16-10- |
| InChIKey | AQCNYSJSOWJBIY-YBEGLDIGSA-N |
| Molecular Weight | 396.399 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_7784 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13308625 |