| SpectraBase Compound ID | 3UVnBs71pA1 |
|---|---|
| InChI | InChI=1S/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(6-3)19-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | YYVIVUWGOOIWIF-UHFFFAOYSA-N |
| Mol Weight | 340.6 g/mol |
| Molecular Formula | C22H44O2 |
| Exact Mass | 340.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AngHcS9Q9RB |
|---|---|
| Name | Hexanoic acid, 2-ethyl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.334130655 u |
| Formula | C22H44O2 |
| InChI | InChI=1S/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(6-3)19-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | YYVIVUWGOOIWIF-UHFFFAOYSA-N |
| Molecular Weight | 340.592 g/mol |
| SMILES | C(OC(C(CC)CCCC)=O)CCCCCCCCCCCCC |