| SpectraBase Compound ID | KhdjTgQW47a |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-17(3)21-18(20)14-16(2)15-19(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | PBWYOKHVLIHEJN-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C19H38O2 |
| Exact Mass | 298.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BE4moF0L2Rb |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, dec-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.287180462 u |
| Formula | C19H38O2 |
| InChI | InChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-17(3)21-18(20)14-16(2)15-19(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | PBWYOKHVLIHEJN-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CCCCCCCC)C)=O)(CC(C)(C)C)C |