| SpectraBase Compound ID | CEP09nFncpX |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-14(13(16)18-3)11(12(15)17-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 |
| InChIKey | PALJHFYCDLRLIG-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30rHGBoZKyF |
|---|---|
| Name | L-Phenylalanine, N-methyl-N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-14(13(16)18-3)11(12(15)17-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 |
| InChIKey | PALJHFYCDLRLIG-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C(OC)=O)N(C)C(OC)=O |