| SpectraBase Compound ID | BkPwYzVVMrD |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-2-9-18-12(16)7-8-15-13(17)10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,17) |
| InChIKey | ZLAMXWWURXSZNM-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tCHoE4NPNW |
|---|---|
| Name | .beta.-Alanine, N-(2-chlorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-2-9-18-12(16)7-8-15-13(17)10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,17) |
| InChIKey | ZLAMXWWURXSZNM-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(NCCC(OCCC)=O)=O)Cl |