| SpectraBase Compound ID | GkX6V2k7tJP |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-6-8-9-10-11-12-13-14-15-16-18-19(17-7-2)23-20(22)21(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YLSWYDFUKJCVDW-UHFFFAOYSA-N |
| Mol Weight | 326.6 g/mol |
| Molecular Formula | C21H42O2 |
| Exact Mass | 326.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EN0R0I0B0o3 |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.318480590 u |
| Formula | C21H42O2 |
| InChI | InChI=1S/C21H42O2/c1-6-8-9-10-11-12-13-14-15-16-18-19(17-7-2)23-20(22)21(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YLSWYDFUKJCVDW-UHFFFAOYSA-N |
| Molecular Weight | 326.565 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(C(C)(C)C)=O |