| SpectraBase Compound ID | 9Wof61MneZU |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13) |
| InChIKey | YJMDORBRISAZSC-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HyeWZFX6G8W |
|---|---|
| Name | 4-(4-Chloro-phenyl)-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13) |
| InChIKey | YJMDORBRISAZSC-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C(CC(O)=O)CC=1C=CC(=CC1)Cl |