| SpectraBase Compound ID | 6lGMmlbi7QP |
|---|---|
| InChI | InChI=1S/C22H44O2/c1-4-7-9-11-12-13-14-16-17-19-21(6-3)24-22(23)20-18-15-10-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | FEEQVOQFEQXVJY-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 | DVIw6y95kb5 |
|---|---|
| Name | Octanoic acid, 3-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/c1-4-7-9-11-12-13-14-16-17-19-21(6-3)24-22(23)20-18-15-10-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | FEEQVOQFEQXVJY-UHFFFAOYSA-N |
| Molecular Weight | 340.592 g/mol |
| SMILES | CCC(OC(=O)CCCCCCC)CCCCCCCCCCC |