| SpectraBase Compound ID | KqIW5VVf6Yq |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-4-19-14(17)15(11(2)13(16)18-3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3 |
| InChIKey | SVIOFTWFMXROKM-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPAQg0AEhYA |
|---|---|
| Name | N.alpha.-Benzyl-N-ethoxycarbonyl-D-alanine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-4-19-14(17)15(11(2)13(16)18-3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3 |
| InChIKey | SVIOFTWFMXROKM-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C)C(=O)OC)C(OCC)=O |