| SpectraBase Compound ID | A2ri9Jajeyo |
|---|---|
| InChI | InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15) |
| InChIKey | CJCSPKMFHVPWAR-UHFFFAOYSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C10H13NO4 |
| Exact Mass | 211.084458 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6wm9eK1ni00 |
|---|---|
| Name | Methyldopa |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.084457899 u |
| Formula | C10H13NO4 |
| InChI | InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15) |
| InChIKey | CJCSPKMFHVPWAR-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=C(CC(C(O)=O)(N)C)C1)O |
| Spectrum/Structure Validation Score (Raman) | 0.985431 |