| SpectraBase Compound ID | GZuFndu9XZa |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-6-7-12-15-20(4)26-22(24)17-14-11-9-8-10-13-16-21(23)25-18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | SFOAFUWOLQBAPU-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 | Lqx2tUQYrah |
|---|---|
| Name | Sebacic acid, isobutyl 2-octyl 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/c1-5-6-7-12-15-20(4)26-22(24)17-14-11-9-8-10-13-16-21(23)25-18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | SFOAFUWOLQBAPU-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCC(OC(C)CCCCCC)=O)CC(OCC(C)C)=O |