| SpectraBase Compound ID | 6yCI3EYBzT4 |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | HJQLXIPVQPEJRY-UHFFFAOYSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C25H50O2 |
| Exact Mass | 382.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqMxWMDId03 |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.381080848 u |
| Formula | C25H50O2 |
| InChI | InChI=1S/C25H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | HJQLXIPVQPEJRY-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CC(OCCCCCCCCCCCCCCCC)=O)(CC(C)(C)C)C |