| SpectraBase Compound ID | KelvU6fMngs |
|---|---|
| InChI | InChI=1S/C13H17ClN2O2/c1-16(2)9-15-12(13(17)18-3)8-10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3/b15-9+ |
| InChIKey | PCXLDSNKICKJPT-OQLLNIDSSA-N |
| Mol Weight | 268.74 g/mol |
| Molecular Formula | C13H17ClN2O2 |
| Exact Mass | 268.097855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyoAsan5wvM |
|---|---|
| Name | D-p-Chlorophenylalanine, N-dimethylaminomethylene-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.097855493 u |
| Formula | C13H17ClN2O2 |
| InChI | InChI=1S/C13H17ClN2O2/c1-16(2)9-15-12(13(17)18-3)8-10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3/b15-9+ |
| InChIKey | PCXLDSNKICKJPT-OQLLNIDSSA-N |
| Molecular Weight | 268.744 g/mol |
| SMILES | C1=CC(=CC=C1CC(\N=C\N(C)C)C(OC)=O)Cl |