| SpectraBase Compound ID | 4CVPEXd43Kk |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | RUYSQUUOTCIKAT-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeCcqX8gGUj |
|---|---|
| Name | Octanoic acid, 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | RUYSQUUOTCIKAT-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | CCCCCCCC(=O)OC(C)CCCCCC |