| SpectraBase Compound ID | EpGRu7QBAUY |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17) |
| InChIKey | PHMBNDDHIBIDRQ-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C13H15NO6 |
| Exact Mass | 281.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERE7PlmaSzb |
|---|---|
| Name | 2-(Benzyloxycarbonylamino)-4-keto-4-methoxy-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.089937201 u |
| Formula | C13H15NO6 |
| InChI | InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17) |
| InChIKey | PHMBNDDHIBIDRQ-UHFFFAOYSA-N |
| SMILES | C(NC(CC(=O)OC)C(=O)O)(=O)OCC1=CC=CC=C1 |