| SpectraBase Compound ID | 8vghh16lzli |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13) |
| InChIKey | DQLHSFUMICQIMB-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTyU8ttdSqo |
|---|---|
| Name | 2-Amino-3-(4-methylphenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13) |
| InChIKey | DQLHSFUMICQIMB-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(C(CC=1C=CC(=CC1)C)N)(=O)O |