![N-[3,4-Dichlorophenyl]-.beta.-alanine](/api/spectrum/1FMMsDwvYNw/structure.png?h=300&w=458 "N-[3,4-Dichlorophenyl]-.beta.-alanine")
| SpectraBase Compound ID | 5pZHELJ5mnE |
|---|---|
| InChI | InChI=1S/C9H9Cl2NO2/c10-7-2-1-6(5-8(7)11)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14) |
| InChIKey | DMALXOMZQXHECQ-UHFFFAOYSA-N |
| Mol Weight | 234.08 g/mol |
| Molecular Formula | C9H9Cl2NO2 |
| Exact Mass | 233.001034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FMMsDwvYNw |
|---|---|
| Name | N-[3,4-Dichlorophenyl]-.beta.-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.001033932 u |
| Formula | C9H9Cl2NO2 |
| InChI | InChI=1S/C9H9Cl2NO2/c10-7-2-1-6(5-8(7)11)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14) |
| InChIKey | DMALXOMZQXHECQ-UHFFFAOYSA-N |
| Molecular Weight | 234.082 g/mol |
| SMILES | C(=O)(O)CCNC1=CC(Cl)=C(Cl)C=C1 |