| SpectraBase Compound ID | 6U1VcJ7cwe3 |
|---|---|
| InChI | InChI=1S/C14H19NO5/c1-10(18-2)12(13(16)19-3)15-14(17)20-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17) |
| InChIKey | RUNYPPWJZPKKII-UHFFFAOYSA-N |
| Mol Weight | 281.31 g/mol |
| Molecular Formula | C14H19NO5 |
| Exact Mass | 281.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IW6mk1pBNDv |
|---|---|
| Name | N-Carbobenzyloxy-L-o-methylthreonine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.126322711 u |
| Formula | C14H19NO5 |
| InChI | InChI=1S/C14H19NO5/c1-10(18-2)12(13(16)19-3)15-14(17)20-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17) |
| InChIKey | RUNYPPWJZPKKII-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)COC(NC(C(C)OC)C(=O)OC)=O |