| SpectraBase Compound ID | Ao0f9J1chLs |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-4-5-6-21-13(19)15(2,3)14(20)22-12-10(17)7-9(16)8-11(12)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | WKDWODBQRJVSHX-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 | 2tzM2TWf65G |
|---|---|
| Name | Dimethylmalonic acid, butyl 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/c1-4-5-6-21-13(19)15(2,3)14(20)22-12-10(17)7-9(16)8-11(12)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | WKDWODBQRJVSHX-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C1=C(C=C(C(=C1Cl)OC(C(C(OCCCC)=O)(C)C)=O)Cl)Cl |