| SpectraBase Compound ID | 90Ml0jdWBCM |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-7-19(17(3)4)25-21(23)15-13-11-9-10-12-14-16-22(24)26-20(8-2)18(5)6/h17-20H,7-16H2,1-6H3 |
| InChIKey | SKOOWHRLXQSSJP-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 | CfATDaIzuus |
|---|---|
| Name | Sebacic acid, di(2-methylpent-3-yl) 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/c1-7-19(17(3)4)25-21(23)15-13-11-9-10-12-14-16-22(24)26-20(8-2)18(5)6/h17-20H,7-16H2,1-6H3 |
| InChIKey | SKOOWHRLXQSSJP-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)CC)=O)CCCC(OC(C(C)C)CC)=O |