| SpectraBase Compound ID | BZAV5Z38lEc |
|---|---|
| InChI | InChI=1S/C12H15NO5/c14-7-10(6-11(15)16)13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1 |
| InChIKey | WYDXTGWCWIHLPO-JTQLQIEISA-N |
| Mol Weight | 253.25 g/mol |
| Molecular Formula | C12H15NO5 |
| Exact Mass | 253.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmHiothYMPx |
|---|---|
| Name | 3(S)-(Benzyloxycarbonylamino)-4-hydroxybutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.095022582 u |
| Formula | C12H15NO5 |
| InChI | InChI=1S/C12H15NO5/c14-7-10(6-11(15)16)13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1 |
| InChIKey | WYDXTGWCWIHLPO-JTQLQIEISA-N |
| Molecular Weight | 253.254 g/mol |
| SMILES | C(N[C@@](CC(=O)O)(CO)[H])(=O)OCC1=CC=CC=C1 |