| SpectraBase Compound ID | 2DlI8lIM8Ax |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-4-7-8-9-23-16(21)18(5-2,6-3)17(22)24-15-11-13(19)10-14(20)12-15/h10-12H,4-9H2,1-3H3 |
| InChIKey | QIYIIHDRVNPUBC-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35L0tGhnMaA |
|---|---|
| Name | Diethylmalonic acid, 3,5-dichlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.105164649 u |
| Formula | C18H24Cl2O4 |
| InChI | InChI=1S/C18H24Cl2O4/c1-4-7-8-9-23-16(21)18(5-2,6-3)17(22)24-15-11-13(19)10-14(20)12-15/h10-12H,4-9H2,1-3H3 |
| InChIKey | QIYIIHDRVNPUBC-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=CC(=CC(=C1)Cl)Cl)=O)CC |