| SpectraBase Compound ID | GZl9g5YD6zX |
|---|---|
| InChI | InChI=1S/C13H22Cl2O4/c1-10(2)8-18-12(16)6-4-3-5-7-13(17)19-9-11(14)15/h10-11H,3-9H2,1-2H3 |
| InChIKey | NXYREYUVPYBEML-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 | 1qeVlR2GyVg |
|---|---|
| Name | Pimelic acid, 2,2-dichloroethyl isobutyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22Cl2O4 |
| InChI | InChI=1S/C13H22Cl2O4/c1-10(2)8-18-12(16)6-4-3-5-7-13(17)19-9-11(14)15/h10-11H,3-9H2,1-2H3 |
| InChIKey | NXYREYUVPYBEML-UHFFFAOYSA-N |
| Molecular Weight | 313.221 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)Cl)=O)(OCC(C)C)=O |
| SPLASH | splash10-0a4l-9510000000-5e4de65fde95bc48fc4c |
| Source of Spectrum | TIPS-2022-893-0 |
| Wiley ID | 1822410 |