| SpectraBase Compound ID | 6H0FVk7vm7Q |
|---|---|
| InChI | InChI=1S/C9H15Cl3O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | RESXQXYZQVQEDT-UHFFFAOYSA-N |
| Mol Weight | 261.58 g/mol |
| Molecular Formula | C9H15Cl3O2 |
| Exact Mass | 260.013763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vr9qad4xyg |
|---|---|
| Name | Trichloroacetic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.013762821 u |
| Formula | C9H15Cl3O2 |
| InChI | InChI=1S/C9H15Cl3O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | RESXQXYZQVQEDT-UHFFFAOYSA-N |
| Molecular Weight | 261.576 g/mol |
| SMILES | C(Cl)(Cl)(Cl)C(OCCCCCCC)=O |