| SpectraBase Compound ID | LIyztT1U7p3 |
|---|---|
| InChI | InChI=1S/C12H19Cl3O4/c1-2-3-4-8-18-10(16)6-5-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | VZGXOPJSKJDNSL-UHFFFAOYSA-N |
| Mol Weight | 333.64 g/mol |
| Molecular Formula | C12H19Cl3O4 |
| Exact Mass | 332.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MMbyG8L0Ps |
|---|---|
| Name | Glutaric acid, pentyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.034892188 u |
| Formula | C12H19Cl3O4 |
| InChI | InChI=1S/C12H19Cl3O4/c1-2-3-4-8-18-10(16)6-5-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | VZGXOPJSKJDNSL-UHFFFAOYSA-N |
| Molecular Weight | 333.639 g/mol |
| SMILES | CCCCCOC(CCCC(OCC(Cl)(Cl)Cl)=O)=O |