| SpectraBase Compound ID | EWNK0peJDIH |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-5-8-9-12-23-17(21)19(6-2,7-3)18(22)24-16-11-10-15(20)13-14(16)4/h10-11,13H,5-9,12H2,1-4H3 |
| InChIKey | OIYMKSWDZQVFSP-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrqD2cFxO9g |
|---|---|
| Name | Diethylmalonic acid, 4-chloro-2-methylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-5-8-9-12-23-17(21)19(6-2,7-3)18(22)24-16-11-10-15(20)13-14(16)4/h10-11,13H,5-9,12H2,1-4H3 |
| InChIKey | OIYMKSWDZQVFSP-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC |