| SpectraBase Compound ID | 1XwXQzM2xE3 |
|---|---|
| InChI | InChI=1S/C12H19Cl3O4/c1-9(2)19-11(17)7-5-3-4-6-10(16)18-8-12(13,14)15/h9H,3-8H2,1-2H3 |
| InChIKey | MGGLZSSNIVPHJZ-UHFFFAOYSA-N |
| Mol Weight | 333.64 g/mol |
| Molecular Formula | C12H19Cl3O4 |
| Exact Mass | 332.034892 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ys1LagPXrT |
|---|---|
| Name | Pimelic acid, 2,2,2-trichloroethyl isopropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H19Cl3O4 |
| InChI | InChI=1S/C12H19Cl3O4/c1-9(2)19-11(17)7-5-3-4-6-10(16)18-8-12(13,14)15/h9H,3-8H2,1-2H3 |
| InChIKey | MGGLZSSNIVPHJZ-UHFFFAOYSA-N |
| Molecular Weight | 333.639 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OC(C)C)=O |
| SPLASH | splash10-0006-9610000000-e08ad86b139741be5ede |
| Source of Spectrum | TIPS-2022-763-0 |
| Wiley ID | 1822280 |