| SpectraBase Compound ID | DgNk2ylzdBy |
|---|---|
| InChI | InChI=1S/C13H15NO4/c1-9(15)7-12(16)14-11(13(17)18)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)(H,17,18) |
| InChIKey | JNJOVFOMTWYMGA-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C13H15NO4 |
| Exact Mass | 249.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JWhesg9gRt |
|---|---|
| Name | N-Acetoacetylphenylalanine, (dl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.100107963 u |
| Formula | C13H15NO4 |
| InChI | InChI=1S/C13H15NO4/c1-9(15)7-12(16)14-11(13(17)18)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)(H,17,18) |
| InChIKey | JNJOVFOMTWYMGA-UHFFFAOYSA-N |
| Molecular Weight | 249.266 g/mol |
| SMILES | C1=C(CC(NC(CC(C)=O)=O)C(O)=O)C=CC=C1 |