| SpectraBase Compound ID | 6CwjPue57ct |
|---|---|
| InChI | InChI=1S/C26H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(27-22-20-24(2)3)28-23-21-25(4)5/h24-26H,6-23H2,1-5H3 |
| InChIKey | KBPNNHFVJQEULH-UHFFFAOYSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C26H54O2 |
| Exact Mass | 398.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIncCoFhFCD |
|---|---|
| Name | Palmitaldehyde, diisopentyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.412380977 u |
| Formula | C26H54O2 |
| InChI | InChI=1S/C26H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(27-22-20-24(2)3)28-23-21-25(4)5/h24-26H,6-23H2,1-5H3 |
| InChIKey | KBPNNHFVJQEULH-UHFFFAOYSA-N |
| Molecular Weight | 398.716 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)(OCCC(C)C)OCCC(C)C |