| SpectraBase Compound ID | JpFgkBHqL6J |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-7-9-12-16(8-2)14-23-18(21)19(5,6)17(20)22-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3 |
| InChIKey | PXJNNGOFQABAOR-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HVe5CUgOkzb |
|---|---|
| Name | Dimethylmalonic acid, 2-ethylhexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-7-9-12-16(8-2)14-23-18(21)19(5,6)17(20)22-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3 |
| InChIKey | PXJNNGOFQABAOR-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | CC(C)CCCOC(C(C(=O)OCC(CCCC)CC)(C)C)=O |