| SpectraBase Compound ID | Kyo7dFDTmwO |
|---|---|
| InChI | InChI=1S/C19H26Cl2O4/c1-4-7-8-9-12-24-17(22)19(5-2,6-3)18(23)25-16-11-10-14(20)13-15(16)21/h10-11,13H,4-9,12H2,1-3H3 |
| InChIKey | OWIRQNLDMWSBJR-UHFFFAOYSA-N |
| Mol Weight | 389.32 g/mol |
| Molecular Formula | C19H26Cl2O4 |
| Exact Mass | 388.120815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DylYL2ZNtrG |
|---|---|
| Name | Diethylmalonic acid, 2,4-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.120814713 u |
| Formula | C19H26Cl2O4 |
| InChI | InChI=1S/C19H26Cl2O4/c1-4-7-8-9-12-24-17(22)19(5-2,6-3)18(23)25-16-11-10-14(20)13-15(16)21/h10-11,13H,4-9,12H2,1-3H3 |
| InChIKey | OWIRQNLDMWSBJR-UHFFFAOYSA-N |
| Molecular Weight | 389.319 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC |