| SpectraBase Compound ID | HeX7ksYsw2K |
|---|---|
| InChI | InChI=1S/C17H13NO5/c19-11-7-5-10(6-8-11)9-14(17(22)23)18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,14,19H,9H2,(H,22,23) |
| InChIKey | ICEYEDNGFRDFOR-UHFFFAOYSA-N |
| Mol Weight | 311.29 g/mol |
| Molecular Formula | C17H13NO5 |
| Exact Mass | 311.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ifIiYEShjI |
|---|---|
| Name | Phthalyltyrosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.079372518 u |
| Formula | C17H13NO5 |
| InChI | InChI=1S/C17H13NO5/c19-11-7-5-10(6-8-11)9-14(17(22)23)18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,14,19H,9H2,(H,22,23) |
| InChIKey | ICEYEDNGFRDFOR-UHFFFAOYSA-N |
| Molecular Weight | 311.293 g/mol |
| SMILES | C1=C(C=CC(=C1)O)CC(C(O)=O)N1C(=O)C=2C=CC=CC2C1=O |