| SpectraBase Compound ID | GeG3YIUQ9sk |
|---|---|
| InChI | InChI=1S/C6H13NO3/c1-4(2)10-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) |
| InChIKey | RWPNRIDPFQODSJ-UHFFFAOYSA-N |
| Mol Weight | 147.17 g/mol |
| Molecular Formula | C6H13NO3 |
| Exact Mass | 147.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATFiqvMZHVD |
|---|---|
| Name | 3-Isopropoxy alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.089543280 u |
| Formula | C6H13NO3 |
| InChI | InChI=1S/C6H13NO3/c1-4(2)10-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) |
| InChIKey | RWPNRIDPFQODSJ-UHFFFAOYSA-N |
| Molecular Weight | 147.174 g/mol |
| SMILES | C(OCC(C(=O)O)N)(C)C |