| SpectraBase Compound ID | HV5Vv65Cx0d |
|---|---|
| InChI | InChI=1S/C26H48O6/c1-4-7-10-13-16-18-24(27)30-21-23(32-26(29)20-15-12-9-6-3)22-31-25(28)19-17-14-11-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | DGYZDFDBZWEASX-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C26H48O6 |
| Exact Mass | 456.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QiLOvWRVHq |
|---|---|
| Name | 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.345089260 u |
| Formula | C26H48O6 |
| InChI | InChI=1S/C26H48O6/c1-4-7-10-13-16-18-24(27)30-21-23(32-26(29)20-15-12-9-6-3)22-31-25(28)19-17-14-11-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | DGYZDFDBZWEASX-UHFFFAOYSA-N |
| Molecular Weight | 456.664 g/mol |
| SMILES | C(C(COC(CCCCCCC)=O)OC(CCCCCC)=O)OC(CCCCCCC)=O |