| SpectraBase Compound ID | JqyEMkxDNbb |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-6-7-8-9-10-11-12-13-14-15-22-19(21)16-18(2)17-20(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | NAKCAHXAFQJWPH-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 | HY4RPLpyUZz |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, undecyl ester |
| 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/c1-6-7-8-9-10-11-12-13-14-15-22-19(21)16-18(2)17-20(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | NAKCAHXAFQJWPH-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CC(OCCCCCCCCCCC)=O)(CC(C)(C)C)C |