| SpectraBase Compound ID | DJOwLiu74Xi |
|---|---|
| InChI | InChI=1S/C24H48O2/c1-7-9-11-12-13-14-16-18-22(17-15-10-8-2)26-23(25)19-21(3)20-24(4,5)6/h21-22H,7-20H2,1-6H3 |
| InChIKey | UUGYDVZTQYAHMP-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C24H48O2 |
| Exact Mass | 368.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8LXmjqjfXi |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, pentadec-6-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.365430784 u |
| Formula | C24H48O2 |
| InChI | InChI=1S/C24H48O2/c1-7-9-11-12-13-14-16-18-22(17-15-10-8-2)26-23(25)19-21(3)20-24(4,5)6/h21-22H,7-20H2,1-6H3 |
| InChIKey | UUGYDVZTQYAHMP-UHFFFAOYSA-N |
| Molecular Weight | 368.646 g/mol |
| SMILES | C(CC(OC(CCCCCCCCC)CCCCC)=O)(CC(C)(C)C)C |