| SpectraBase Compound ID | KWkivssOqEh |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h16-19H,7-15H2,1-6H3 |
| InChIKey | RPMDAXIWRPPCBN-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqrfRhZBQru |
|---|---|
| Name | 3,7-Dimethyloctyl 3,7-dimethyloctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.302830526 u |
| Formula | C20H40O2 |
| InChI | InChI=1S/C20H40O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h16-19H,7-15H2,1-6H3 |
| InChIKey | RPMDAXIWRPPCBN-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(=O)(CC(CCCC(C)C)C)OCCC(CCCC(C)C)C |