| SpectraBase Compound ID | 73dCHMb3Snf |
|---|---|
| InChI | InChI=1S/C18H20N2O3/c1-2-19-18(23)16(12-13-8-10-15(21)11-9-13)20-17(22)14-6-4-3-5-7-14/h3-11,16,21H,2,12H2,1H3,(H,19,23)(H,20,22) |
| InChIKey | MKDLEYDICHRETI-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C18H20N2O3 |
| Exact Mass | 312.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8R0pdikM2wm |
|---|---|
| Name | N.alpha.-Benzoyltyrosine ethylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.147392509 u |
| Formula | C18H20N2O3 |
| InChI | InChI=1S/C18H20N2O3/c1-2-19-18(23)16(12-13-8-10-15(21)11-9-13)20-17(22)14-6-4-3-5-7-14/h3-11,16,21H,2,12H2,1H3,(H,19,23)(H,20,22) |
| InChIKey | MKDLEYDICHRETI-UHFFFAOYSA-N |
| SMILES | C(NC(C(=O)NCC)CC1=CC=C(C=C1)O)(=O)C=1C=CC=CC1 |