| SpectraBase Compound ID | 78PMVYKE2Qn |
|---|---|
| InChI | InChI=1S/C13H21Cl3O4/c1-2-3-9-19-11(17)7-5-4-6-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | JGYJGNDEZZTZQP-UHFFFAOYSA-N |
| Mol Weight | 347.67 g/mol |
| Molecular Formula | C13H21Cl3O4 |
| Exact Mass | 346.050542 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4wHUSADeZPA |
|---|---|
| Name | Pimelic acid, 2,2,2-trichloroethyl butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H21Cl3O4 |
| InChI | InChI=1S/C13H21Cl3O4/c1-2-3-9-19-11(17)7-5-4-6-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | JGYJGNDEZZTZQP-UHFFFAOYSA-N |
| Molecular Weight | 347.666 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCC)=O |
| SPLASH | splash10-0a4l-9510000000-326e9ac1731e68918162 |
| Source of Spectrum | TIPS-2022-765-0 |
| Wiley ID | 1822282 |