| SpectraBase Compound ID | HohqILIa9o2 |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-5-6-7-8-13-23-17(21)19(3,4)18(22)24-16-11-9-15(10-12-16)14(2)20/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | PVUTUWAPPKZNMK-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CE71pEVNvsL |
|---|---|
| Name | Dimethylmalonic acid, 4-acetylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-5-6-7-8-13-23-17(21)19(3,4)18(22)24-16-11-9-15(10-12-16)14(2)20/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | PVUTUWAPPKZNMK-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | CC(C1=CC=C(C=C1)OC(C(C(OCCCCCC)=O)(C)C)=O)=O |