| SpectraBase Compound ID | DWO3HrAIapg |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-6-7-16-22-20(21)15-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h17-19H,6-16H2,1-5H3 |
| InChIKey | XRDADZUMPNTINC-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 | 545B2rKteri |
|---|---|
| Name | Butyl 4,8,12-trimethyl-tridecanoate |
| 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/c1-6-7-16-22-20(21)15-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h17-19H,6-16H2,1-5H3 |
| InChIKey | XRDADZUMPNTINC-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(C(OCCCC)=O)CC(CCCC(CCCC(C)C)C)C |