| SpectraBase Compound ID | 3vie9Rap77p |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-16-11(14)7-8-13-12(15)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15) |
| InChIKey | LWSYHFSVQUXZJI-UHFFFAOYSA-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 | Fj3pD6Ou23q |
|---|---|
| Name | N-Carbobenzyloxy-.beta.-alanine, methyl ester |
| 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/c1-16-11(14)7-8-13-12(15)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15) |
| InChIKey | LWSYHFSVQUXZJI-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(OC(=O)NCCC(=O)OC)C1=CC=CC=C1 |