| SpectraBase Compound ID | Gksu0KPAOkj |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-7-12-15-19-25-21(23)17-13-10-8-9-11-14-18-22(24)26-20(3)16-5-2/h5,20H,2,4,6-19H2,1,3H3 |
| InChIKey | JOUSBHQMBFKICW-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 | 8DgnOZlvCjs |
|---|---|
| Name | Sebacic acid, heptyl pent-4-en-2-yl 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/c1-4-6-7-12-15-19-25-21(23)17-13-10-8-9-11-14-18-22(24)26-20(3)16-5-2/h5,20H,2,4,6-19H2,1,3H3 |
| InChIKey | JOUSBHQMBFKICW-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCCCC)=O |