![(2R)-Methyl N-[(2-hydroxy-2-phenyl)acetyl]-L-alaninate](/api/spectrum/6DrVrwk5cyZ/structure.png?h=300&w=458 "(2R)-Methyl N-[(2-hydroxy-2-phenyl)acetyl]-L-alaninate")
| SpectraBase Compound ID | AJIjLoR7uGw |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-8(12(16)17-2)13-11(15)10(14)9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,15)/t8-,10+/m0/s1 |
| InChIKey | MXLQEEXEOBSZDL-WCBMZHEXSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DrVrwk5cyZ |
|---|---|
| Name | (2R)-Methyl N-[(2-hydroxy-2-phenyl)acetyl]-L-alaninate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-8(12(16)17-2)13-11(15)10(14)9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,15)/t8-,10+/m0/s1 |
| InChIKey | MXLQEEXEOBSZDL-WCBMZHEXSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(N[C@](C(=O)OC)(C)[H])([C@@](C1=CC=CC=C1)(O)[H])=O |