| SpectraBase Compound ID | DvgqFTAmz1k |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-4-7-9-11-13-15-17-20(19-23-21(22)6-3)18-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | WNRAEXUQVUIIFS-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 | Hrq6bHQOfcZ |
|---|---|
| Name | 2-Octyldecyl propionate |
| 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/c1-4-7-9-11-13-15-17-20(19-23-21(22)6-3)18-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | WNRAEXUQVUIIFS-UHFFFAOYSA-N |
| Molecular Weight | 326.565 g/mol |
| SMILES | C(CCCCCC(COC(CC)=O)CCCCCCCC)CC |