| SpectraBase Compound ID | HfyBfBs5DYI |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-7-8-11-14-23-17(21)19(5-2,6-3)18(22)24-16-13-10-9-12-15(16)20/h9-10,12-13H,4-8,11,14H2,1-3H3 |
| InChIKey | DUBKQKAHEUYSMJ-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 | CLc5IEJRSVK |
|---|---|
| Name | Diethylmalonic acid, 2-chlorophenyl hexyl 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/c1-4-7-8-11-14-23-17(21)19(5-2,6-3)18(22)24-16-13-10-9-12-15(16)20/h9-10,12-13H,4-8,11,14H2,1-3H3 |
| InChIKey | DUBKQKAHEUYSMJ-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC |