| SpectraBase Compound ID | CwSfRht8SSl |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-7-9-11-14-18(4)24-20(22)16-12-15-19(21)23-17(3)13-10-8-6-2/h11,14,17-18H,5-10,12-13,15-16H2,1-4H3/b14-11+ |
| InChIKey | UEKDXXKKISRDQU-SDNWHVSQSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9qaeQSLiEy |
|---|---|
| Name | Glutaric acid, hept-2-yl oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-5-7-9-11-14-18(4)24-20(22)16-12-15-19(21)23-17(3)13-10-8-6-2/h11,14,17-18H,5-10,12-13,15-16H2,1-4H3/b14-11+ |
| InChIKey | UEKDXXKKISRDQU-SDNWHVSQSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(C)\C=C\CCCC)=O |