| SpectraBase Compound ID | CzHHJx1Bk3N |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-14(2)10-9-13-22-17(20)11-7-8-12-18(21)23-19(15(3)4)16(5)6/h14-16,19H,7-13H2,1-6H3 |
| InChIKey | ADFPEMFGGNNRPA-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 | 9kBuSy9lGsv |
|---|---|
| Name | Adipic acid, 2,4-dimethylpent-3-yl 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/c1-14(2)10-9-13-22-17(20)11-7-8-12-18(21)23-19(15(3)4)16(5)6/h14-16,19H,7-13H2,1-6H3 |
| InChIKey | ADFPEMFGGNNRPA-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(CCCCC(OCCCC(C)C)=O)=O |