| SpectraBase Compound ID | 6tCPkv6zBom |
|---|---|
| InChI | InChI=1S/C26H50O3/c1-3-5-7-9-12-16-20-24-25(29-24)21-17-13-11-14-18-22-26(27)28-23-19-15-10-8-6-4-2/h24-25H,3-23H2,1-2H3 |
| InChIKey | FIBARIGPBPUBHC-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C26H50O3 |
| Exact Mass | 410.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jaopr6CNlXU |
|---|---|
| Name | Epoxidized octanoic ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.375995467 u |
| Formula | C26H50O3 |
| InChI | InChI=1S/C26H50O3/c1-3-5-7-9-12-16-20-24-25(29-24)21-17-13-11-14-18-22-26(27)28-23-19-15-10-8-6-4-2/h24-25H,3-23H2,1-2H3 |
| InChIKey | FIBARIGPBPUBHC-UHFFFAOYSA-N |
| Molecular Weight | 410.683 g/mol |
| Nominal Mass | 410 u |
| SMILES | CCCCCCCCOC(CCCCCCCC1OC1CCCCCCCC)=O |