| SpectraBase Compound ID | 54gD0zhARIU |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c1-2-17-11(15)7-8-14-12(16)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16) |
| InChIKey | OFYIJZQIJRBKNG-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXl2jJw63v7 |
|---|---|
| Name | .beta.-Alanine, N-(4-chlorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c1-2-17-11(15)7-8-14-12(16)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16) |
| InChIKey | OFYIJZQIJRBKNG-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC)=O)=O)Cl |