| SpectraBase Compound ID | 92MGBlfGM5z |
|---|---|
| InChI | InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24) |
| InChIKey | FSXRLASFHBWESK-UHFFFAOYSA-N |
| Mol Weight | 328.37 g/mol |
| Molecular Formula | C18H20N2O4 |
| Exact Mass | 328.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3CqdfR8XHG |
|---|---|
| Name | phe-tyr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.142307128 u |
| Formula | C18H20N2O4 |
| InChI | InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24) |
| InChIKey | FSXRLASFHBWESK-UHFFFAOYSA-N |
| Molecular Weight | 328.368 g/mol |
| SMILES | C(NC(=O)C(N)CC1=CC=CC=C1)(CC1=CC=C(C=C1)O)C(=O)O |