| SpectraBase Compound ID | 2LExucMcKJs |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-8(2)7-21-13(19)15(3,4)14(20)22-12-10(17)5-9(16)6-11(12)18/h5-6,8H,7H2,1-4H3 |
| InChIKey | FFIVIPHUOGITAI-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33PflWTF4eh |
|---|---|
| Name | Dimethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-8(2)7-21-13(19)15(3,4)14(20)22-12-10(17)5-9(16)6-11(12)18/h5-6,8H,7H2,1-4H3 |
| InChIKey | FFIVIPHUOGITAI-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C1=C(C=C(C(=C1Cl)OC(C(C(OCC(C)C)=O)(C)C)=O)Cl)Cl |