| SpectraBase Compound ID | BQ8AjIYpHut |
|---|---|
| InChI | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-12-15(16)17-13-10-11-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | IOPBPOVYQZWFLC-UHFFFAOYSA-N |
| Mol Weight | 242.4 g/mol |
| Molecular Formula | C15H30O2 |
| Exact Mass | 242.22458 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 | 3Qxf8jlRZIe |
|---|---|
| Name | Nonanoic acid, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.224580204 u |
| Formula | C15H30O2 |
| InChI | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-12-15(16)17-13-10-11-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | IOPBPOVYQZWFLC-UHFFFAOYSA-N |
| Molecular Weight | 242.403 g/mol |
| SMILES | C(COC(CCCCCCCC)=O)CC(C)C |