| SpectraBase Compound ID | IUxtR89Iy8D |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-4(2)6(7(11)12)8-3-5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | MZXLPKIEZZVMBY-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tCE9fyQ0L9 |
|---|---|
| Name | N-(Carboxymethyl)valine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-4(2)6(7(11)12)8-3-5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | MZXLPKIEZZVMBY-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | C(=O)(CNC(C(O)=O)C(C)C)O |