| SpectraBase Compound ID | FliPC75D9lx |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-7-8-9-10-11-12-13-14-15-16-17-21(3)25-22(24)18-20(2)19-23(4,5)6/h20-21H,7-19H2,1-6H3 |
| InChIKey | ZBERYZPXQBWASF-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96BWqNkZoov |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, tetradec-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-7-8-9-10-11-12-13-14-15-16-17-21(3)25-22(24)18-20(2)19-23(4,5)6/h20-21H,7-19H2,1-6H3 |
| InChIKey | ZBERYZPXQBWASF-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(CC(OC(CCCCCCCCCCCC)C)=O)(CC(C)(C)C)C |