| SpectraBase Compound ID | IVcKS9qBX9P |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-4-15(5-2,13(19)21-6-3)14(20)22-12-8-10(17)9(16)7-11(12)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | YLIDQZORUNHJNR-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 | 5Ka4SyH2B3f |
|---|---|
| Name | Diethylmalonic acid, ethyl 2,4,5-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/c1-4-15(5-2,13(19)21-6-3)14(20)22-12-8-10(17)9(16)7-11(12)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | YLIDQZORUNHJNR-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)CC |