| SpectraBase Compound ID | 13XMu1qMO6v |
|---|---|
| InChI | InChI=1S/C7H9Cl3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2 |
| InChIKey | GKJGDNHHHBKKCH-UHFFFAOYSA-N |
| Mol Weight | 231.51 g/mol |
| Molecular Formula | C7H9Cl3O2 |
| Exact Mass | 229.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BERqnlGu7j |
|---|---|
| Name | Trichloroacetic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.966812628 u |
| Formula | C7H9Cl3O2 |
| InChI | InChI=1S/C7H9Cl3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2 |
| InChIKey | GKJGDNHHHBKKCH-UHFFFAOYSA-N |
| Molecular Weight | 231.506 g/mol |
| SMILES | C1CCCC1OC(C(Cl)(Cl)Cl)=O |