| SpectraBase Compound ID | 6VNsE954vhi |
|---|---|
| InChI | InChI=1S/C13H22Cl2O4/c1-2-3-9-18-12(16)7-5-4-6-8-13(17)19-10-11(14)15/h11H,2-10H2,1H3 |
| InChIKey | LEMDBTIWZDILCA-UHFFFAOYSA-N |
| Mol Weight | 313.22 g/mol |
| Molecular Formula | C13H22Cl2O4 |
| Exact Mass | 312.089515 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7SyhdwZ404L |
|---|---|
| Name | Pimelic acid, 2,2-dichloroethyl butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22Cl2O4 |
| InChI | InChI=1S/C13H22Cl2O4/c1-2-3-9-18-12(16)7-5-4-6-8-13(17)19-10-11(14)15/h11H,2-10H2,1H3 |
| InChIKey | LEMDBTIWZDILCA-UHFFFAOYSA-N |
| Molecular Weight | 313.221 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)Cl)=O)(OCCCC)=O |
| SPLASH | splash10-0a6v-9610000000-80456c0e93fd3f75fe64 |
| Source of Spectrum | TIPS-2022-894-0 |
| Wiley ID | 1822411 |