| SpectraBase Compound ID | B0jsy56RzMG |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-4-5-6-7-8-12-22-16(20)18(2,3)17(21)23-15-11-9-10-14(19)13-15/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | RYQOIWHGBDBRCQ-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sZGEvB9AhR |
|---|---|
| Name | Dimethylmalonic acid, 3-chlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-4-5-6-7-8-12-22-16(20)18(2,3)17(21)23-15-11-9-10-14(19)13-15/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | RYQOIWHGBDBRCQ-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | CCCCCCCOC(C(C(OC1=CC(=CC=C1)Cl)=O)(C)C)=O |