![2-oxo-3-[4-Chlorophenyl]propanoic acid](/api/spectrum/BTQ1EhGhXDm/structure.png?h=300&w=458 "2-oxo-3-[4-Chlorophenyl]propanoic acid")
| SpectraBase Compound ID | Eag9limCoXg |
|---|---|
| InChI | InChI=1S/C9H7ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13) |
| InChIKey | VRYUGTMBOLOQTA-UHFFFAOYSA-N |
| Mol Weight | 198.6 g/mol |
| Molecular Formula | C9H7ClO3 |
| Exact Mass | 198.008372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTQ1EhGhXDm |
|---|---|
| Name | 2-oxo-3-[4-Chlorophenyl]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.008371782 u |
| Formula | C9H7ClO3 |
| InChI | InChI=1S/C9H7ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13) |
| InChIKey | VRYUGTMBOLOQTA-UHFFFAOYSA-N |
| Molecular Weight | 198.605 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CC(C(O)=O)=O |