| SpectraBase Compound ID | 7uUps1E2FIu |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-18(2)14-13-17-25-20(23)15-11-9-7-8-10-12-16-21(24)26-19(3)22(4,5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | SJPYFTIATJOJHE-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XaPPMhHGkq |
|---|---|
| Name | Sebacic acid, 3,3-dimethylbut-2-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-18(2)14-13-17-25-20(23)15-11-9-7-8-10-12-16-21(24)26-19(3)22(4,5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | SJPYFTIATJOJHE-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCC(C)C)=O |