| SpectraBase Compound ID | DMLuFdlQget |
|---|---|
| InChI | InChI=1S/C12H19Cl3O4/c1-2-3-8-18-10(16)6-4-5-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | JTPBVPBJYDQUIX-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 | 4dFwjSA7orl |
|---|---|
| Name | Adipic acid, butyl 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/c1-2-3-8-18-10(16)6-4-5-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | JTPBVPBJYDQUIX-UHFFFAOYSA-N |
| Molecular Weight | 333.639 g/mol |
| SMILES | C(CCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCC)=O |