| SpectraBase Compound ID | LHXCmxYPyhT |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-4-7-9-11-12-13-14-15-17-18-20-22(6-3)25-23(24)21-19-16-10-8-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | YMCVOFFFAWBGLY-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 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 | 20Sifs5p0zT |
|---|---|
| Name | Octanoic acid, 3-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-4-7-9-11-12-13-14-15-17-18-20-22(6-3)25-23(24)21-19-16-10-8-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | YMCVOFFFAWBGLY-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | CCC(OC(=O)CCCCCCC)CCCCCCCCCCCC |