| SpectraBase Compound ID | 3jcyK68j4WL |
|---|---|
| InChI | InChI=1S/C12H19Cl3O4/c1-4-9(8(2)3)19-11(17)6-5-10(16)18-7-12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | BUBXDLJRIRMJOQ-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 | 5Y4SlERlhXr |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl 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/c1-4-9(8(2)3)19-11(17)6-5-10(16)18-7-12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | BUBXDLJRIRMJOQ-UHFFFAOYSA-N |
| Molecular Weight | 333.639 g/mol |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OCC(Cl)(Cl)Cl)=O |