| SpectraBase Compound ID | 3KflaWTjzet |
|---|---|
| InChI | InChI=1S/C21H38O6/c1-4-6-8-10-12-14-20(23)26-17-19(16-25-18(3)22)27-21(24)15-13-11-9-7-5-2/h19H,4-17H2,1-3H3 |
| InChIKey | JTPWKHMDSHSVHB-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C21H38O6 |
| Exact Mass | 386.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKBIHFMJIxo |
|---|---|
| Name | 1,2-Dioctanoyl-sn-glycerol, o-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.266838938 u |
| Formula | C21H38O6 |
| InChI | InChI=1S/C21H38O6/c1-4-6-8-10-12-14-20(23)26-17-19(16-25-18(3)22)27-21(24)15-13-11-9-7-5-2/h19H,4-17H2,1-3H3 |
| InChIKey | JTPWKHMDSHSVHB-UHFFFAOYSA-N |
| Molecular Weight | 386.529 g/mol |
| SMILES | C(OC(CCCCCCC)=O)C(COC(C)=O)OC(CCCCCCC)=O |