| SpectraBase Compound ID | 5JXWeP2vXd3 |
|---|---|
| InChI | InChI=1S/C12H21Cl3O3/c1-2-3-4-5-6-7-8-9-17-11(16)18-10-12(13,14)15/h2-10H2,1H3 |
| InChIKey | HXWBGUQTUCGJIO-UHFFFAOYSA-N |
| Mol Weight | 319.66 g/mol |
| Molecular Formula | C12H21Cl3O3 |
| Exact Mass | 318.055628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BreUnJa9NCH |
|---|---|
| Name | Carbonic acid, nonyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.055627633 u |
| Formula | C12H21Cl3O3 |
| InChI | InChI=1S/C12H21Cl3O3/c1-2-3-4-5-6-7-8-9-17-11(16)18-10-12(13,14)15/h2-10H2,1H3 |
| InChIKey | HXWBGUQTUCGJIO-UHFFFAOYSA-N |
| Molecular Weight | 319.656 g/mol |
| SMILES | C(COC(OCCCCCCCCC)=O)(Cl)(Cl)Cl |