| SpectraBase Compound ID | 6FLZGhz1YuC |
|---|---|
| InChI | InChI=1S/C28H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25-28(29)26-27/h22,24-26,29H,2-21,23H2,1H3 |
| InChIKey | NQYXLASSQHHBQY-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C28H50O |
| Exact Mass | 402.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jlz32L0cBsU |
|---|---|
| Name | Phenol, 3-docosyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.386166229 u |
| Formula | C28H50O |
| InChI | InChI=1S/C28H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25-28(29)26-27/h22,24-26,29H,2-21,23H2,1H3 |
| InChIKey | NQYXLASSQHHBQY-UHFFFAOYSA-N |
| Molecular Weight | 402.707 g/mol |
| SMILES | C1(=CC(=CC=C1)CCCCCCCCCCCCCCCCCCCCCC)O |