| SpectraBase Compound ID | LT9S3aYTkCj |
|---|---|
| InChI | InChI=1S/C15H25Cl3O4/c1-2-3-4-8-11-21-13(19)9-6-5-7-10-14(20)22-12-15(16,17)18/h2-12H2,1H3 |
| InChIKey | PVCFEFSJVBROQX-UHFFFAOYSA-N |
| Mol Weight | 375.72 g/mol |
| Molecular Formula | C15H25Cl3O4 |
| Exact Mass | 374.081842 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GREHd1iOTXg |
|---|---|
| Name | Pimelic acid, 2,2,2-trichloroethyl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H25Cl3O4 |
| InChI | InChI=1S/C15H25Cl3O4/c1-2-3-4-8-11-21-13(19)9-6-5-7-10-14(20)22-12-15(16,17)18/h2-12H2,1H3 |
| InChIKey | PVCFEFSJVBROQX-UHFFFAOYSA-N |
| Molecular Weight | 375.720 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCC)=O |
| SPLASH | splash10-0006-9410000000-af5388f7b8e9cb535eff |
| Source of Spectrum | TIPS-2022-767-0 |
| Wiley ID | 1822284 |