| SpectraBase Compound ID | 1D2A5Jigy7F |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-5-6-11-14-18-25-21(23)15-12-9-7-8-10-13-16-22(24)26-19-17-20(2)3/h17H,4-16,18-19H2,1-3H3 |
| InChIKey | HZTXVCIVIQHSER-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8pgej8XLy9 |
|---|---|
| Name | Sebacic acid, heptyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-5-6-11-14-18-25-21(23)15-12-9-7-8-10-13-16-22(24)26-19-17-20(2)3/h17H,4-16,18-19H2,1-3H3 |
| InChIKey | HZTXVCIVIQHSER-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCC)=O)(OCC=C(C)C)=O |