| SpectraBase Compound ID | LdVhaK5w5cA |
|---|---|
| InChI | InChI=1S/C11H12Cl2O2/c12-10(13)11(14)15-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | MQJYPHGGFSABDL-UHFFFAOYSA-N |
| Mol Weight | 247.12 g/mol |
| Molecular Formula | C11H12Cl2O2 |
| Exact Mass | 246.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCpVqI5Y7hr |
|---|---|
| Name | Dichloroacetic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.021435024 u |
| Formula | C11H12Cl2O2 |
| InChI | InChI=1S/C11H12Cl2O2/c12-10(13)11(14)15-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | MQJYPHGGFSABDL-UHFFFAOYSA-N |
| Molecular Weight | 247.121 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C(Cl)Cl)=O |