| SpectraBase Compound ID | 31K9ECcM80t |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-5-9-11-14-18(7-3)24-20(22)16-13-17-21(23)25-19(8-4)15-12-10-6-2/h7-8,18-19H,3-6,9-17H2,1-2H3 |
| InChIKey | OIKCEYXOKVCELJ-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxSEQlU0trY |
|---|---|
| Name | Glutaric acid, di(oct-1-en-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-5-9-11-14-18(7-3)24-20(22)16-13-17-21(23)25-19(8-4)15-12-10-6-2/h7-8,18-19H,3-6,9-17H2,1-2H3 |
| InChIKey | OIKCEYXOKVCELJ-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC(C=C)CCCCC)=O)C(OC(C=C)CCCCC)=O |