![5-[p-Chlorophenyl]sorbic acid](/api/spectrum/5iDOAM8yWem/structure.png?h=300&w=458 "5-[p-Chlorophenyl]sorbic acid")
| SpectraBase Compound ID | GteTn9JFC3X |
|---|---|
| InChI | InChI=1S/C12H11ClO2/c1-9(3-2-4-12(14)15)10-5-7-11(13)8-6-10/h2-8H,1H3,(H,14,15)/b4-2+,9-3+ |
| InChIKey | DUNNXJVNDJETSJ-QIAUARBPSA-N |
| Mol Weight | 222.67 g/mol |
| Molecular Formula | C12H11ClO2 |
| Exact Mass | 222.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iDOAM8yWem |
|---|---|
| Name | 5-[p-Chlorophenyl]sorbic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.044757292 u |
| Formula | C12H11ClO2 |
| InChI | InChI=1S/C12H11ClO2/c1-9(3-2-4-12(14)15)10-5-7-11(13)8-6-10/h2-8H,1H3,(H,14,15)/b4-2+,9-3+ |
| InChIKey | DUNNXJVNDJETSJ-QIAUARBPSA-N |
| Molecular Weight | 222.671 g/mol |
| SMILES | C(\C=C\C=C\(C1=CC=C(C=C1)Cl)C)(=O)O |