| SpectraBase Compound ID | DXR8Zbbfad3 |
|---|---|
| InChI | InChI=1S/C17H29Cl3O4/c1-2-3-4-5-6-7-8-9-13-23-15(21)11-10-12-16(22)24-14-17(18,19)20/h2-14H2,1H3 |
| InChIKey | GHZRMKMMLBRMMP-UHFFFAOYSA-N |
| Mol Weight | 403.77 g/mol |
| Molecular Formula | C17H29Cl3O4 |
| Exact Mass | 402.113143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | a3mQkycnP |
|---|---|
| Name | Glutaric acid, decyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.113142510 u |
| Formula | C17H29Cl3O4 |
| InChI | InChI=1S/C17H29Cl3O4/c1-2-3-4-5-6-7-8-9-13-23-15(21)11-10-12-16(22)24-14-17(18,19)20/h2-14H2,1H3 |
| InChIKey | GHZRMKMMLBRMMP-UHFFFAOYSA-N |
| Molecular Weight | 403.774 g/mol |
| SMILES | CCCCCCCCCCOC(CCCC(OCC(Cl)(Cl)Cl)=O)=O |