| SpectraBase Compound ID | EQZzxWnV5db |
|---|---|
| InChI | InChI=1S/C26H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-25(27)22-24(2)23-26(3,4)5/h24H,6-23H2,1-5H3 |
| InChIKey | QBUCOQMZPGBRSL-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 | JDa19CsC3Qo |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, heptadecyl ester |
| 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-25(27)22-24(2)23-26(3,4)5/h24H,6-23H2,1-5H3 |
| InChIKey | QBUCOQMZPGBRSL-UHFFFAOYSA-N |
| Molecular Weight | 396.700 g/mol |
| SMILES | C(CC(OCCCCCCCCCCCCCCCCC)=O)(CC(C)(C)C)C |