| SpectraBase Compound ID | HRrMzulOIMd |
|---|---|
| InChI | InChI=1S/C26H52O2/c1-7-15-22(3)17-11-9-13-19-24(5)21-28-26(27)25(6)20-14-10-12-18-23(4)16-8-2/h22-25H,7-21H2,1-6H3 |
| InChIKey | HUCGQIOBFDUBCK-UHFFFAOYSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C26H52O2 |
| Exact Mass | 396.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzDE3Vd3uOe |
|---|---|
| Name | 2,8-Dimethylundecyl 2,8-dimethylundecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.396730912 u |
| Formula | C26H52O2 |
| InChI | InChI=1S/C26H52O2/c1-7-15-22(3)17-11-9-13-19-24(5)21-28-26(27)25(6)20-14-10-12-18-23(4)16-8-2/h22-25H,7-21H2,1-6H3 |
| InChIKey | HUCGQIOBFDUBCK-UHFFFAOYSA-N |
| Molecular Weight | 396.700 g/mol |
| SMILES | C(C(CCCCCC(CCC)C)C)(=O)OCC(CCCCCC(CCC)C)C |