| SpectraBase Compound ID | 5uzRdeMTZY3 |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-15-9-11(12(14)16-2)13-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1 |
| InChIKey | JMFGUKANWAOSDS-LLVKDONJSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DntjYjvdO7d |
|---|---|
| Name | (R)-2-Benzylamino-3-hydroxypropionic acid, methyl ether, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-15-9-11(12(14)16-2)13-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1 |
| InChIKey | JMFGUKANWAOSDS-LLVKDONJSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | [C@](NCC1=CC=CC=C1)(COC)(C(=O)OC)[H] |