| SpectraBase Compound ID | Hb6uQXt2Yjx |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-7-8-9-14-23-17(21)19(5-2,6-3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | LQPSHXYGDATTQC-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 | 583x6mztNDV |
|---|---|
| Name | Diethylmalonic acid, 4-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/c1-4-7-8-9-14-23-17(21)19(5-2,6-3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | LQPSHXYGDATTQC-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC=C(C=C1)Cl)=O)CC |