| SpectraBase Compound ID | CEEswcPFPQU |
|---|---|
| InChI | InChI=1S/C14H30O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | DQPCKTBYQXJOFX-UHFFFAOYSA-N |
| Mol Weight | 230.39 g/mol |
| Molecular Formula | C14H30O2 |
| Exact Mass | 230.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9k28wPe0sM |
|---|---|
| Name | Hexanal ethyl hexyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.224580204 u |
| Formula | C14H30O2 |
| InChI | InChI=1S/C14H30O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | DQPCKTBYQXJOFX-UHFFFAOYSA-N |
| Molecular Weight | 230.392 g/mol |
| SMILES | C(CCCCC)(OCCCCCC)OCC |