| SpectraBase Compound ID | KT83lGhpTx6 |
|---|---|
| InChI | InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3 |
| InChIKey | IKDHIMYPOLRLJB-UHFFFAOYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C22H44O3 |
| Exact Mass | 356.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tvDE9yj7HC |
|---|---|
| Name | Octadecanoic acid, 4-hydroxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.329045274 u |
| Formula | C22H44O3 |
| InChI | InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3 |
| InChIKey | IKDHIMYPOLRLJB-UHFFFAOYSA-N |
| Molecular Weight | 356.591 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCC)C(OCCCCO)=O |