| SpectraBase Compound ID | 6YrNs6u8UNx |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-4-7-22-14(20)16(5-2,6-3)15(21)23-13-9-11(18)10(17)8-12(13)19/h8-9H,4-7H2,1-3H3 |
| InChIKey | PHWZMIDIGKVDDB-UHFFFAOYSA-N |
| Mol Weight | 381.68 g/mol |
| Molecular Formula | C16H19Cl3O4 |
| Exact Mass | 380.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpKN0oSyWgm |
|---|---|
| Name | Diethylmalonic acid, propyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.034892188 u |
| Formula | C16H19Cl3O4 |
| InChI | InChI=1S/C16H19Cl3O4/c1-4-7-22-14(20)16(5-2,6-3)15(21)23-13-9-11(18)10(17)8-12(13)19/h8-9H,4-7H2,1-3H3 |
| InChIKey | PHWZMIDIGKVDDB-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O)CC |