| SpectraBase Compound ID | 5v2ox7EZ0R9 |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3 |
| InChIKey | HUZXZYWMBWQTNX-UHFFFAOYSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGsvBVOS7fD |
|---|---|
| Name | 6-Octenoic acid, 3,7-dimethyl-, 3,7-dimethyl-6-octenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3 |
| InChIKey | HUZXZYWMBWQTNX-UHFFFAOYSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | C(CC(CCC=C(C)C)C)(=O)OCCC(CCC=C(C)C)C |