| SpectraBase Compound ID | 5xJJdKJsoSv |
|---|---|
| InChI | InChI=1S/C14H15Cl3O2/c15-10-7-11(16)14(12(17)8-10)19-13(18)6-5-9-3-1-2-4-9/h7-9H,1-6H2 |
| InChIKey | JQAHTGXXRGTMHX-UHFFFAOYSA-N |
| Mol Weight | 321.63 g/mol |
| Molecular Formula | C14H15Cl3O2 |
| Exact Mass | 320.013763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 402zWugD3Oo |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.013762821 u |
| Formula | C14H15Cl3O2 |
| InChI | InChI=1S/C14H15Cl3O2/c15-10-7-11(16)14(12(17)8-10)19-13(18)6-5-9-3-1-2-4-9/h7-9H,1-6H2 |
| InChIKey | JQAHTGXXRGTMHX-UHFFFAOYSA-N |
| Molecular Weight | 321.631 g/mol |
| SMILES | C(C1CCCC1)CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |