| SpectraBase Compound ID | HJXfODaWM7W |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-5-6-7-8-9-13-23-17(21)19(2,3)18(22)24-16-12-10-11-15(20)14-16/h10-12,14H,4-9,13H2,1-3H3 |
| InChIKey | UAGNCMOHSAOKTM-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 | KSbNScOUi2i |
|---|---|
| Name | Dimethylmalonic acid, 3-chlorophenyl octyl 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/c1-4-5-6-7-8-9-13-23-17(21)19(2,3)18(22)24-16-12-10-11-15(20)14-16/h10-12,14H,4-9,13H2,1-3H3 |
| InChIKey | UAGNCMOHSAOKTM-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCCCCCCCOC(C(C(OC1=CC(=CC=C1)Cl)=O)(C)C)=O |