| SpectraBase Compound ID | H4tPpKailmr |
|---|---|
| InChI | InChI=1S/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3 |
| InChIKey | PUYRISKXBBQECH-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 | 4LnNesxfczN |
|---|---|
| Name | Oxiraneoctanoic acid, 3-octyl-, 2-ethylhexyl 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/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3 |
| InChIKey | PUYRISKXBBQECH-UHFFFAOYSA-N |
| Molecular Weight | 410.683 g/mol |
| SMILES | CCCCCCCCC1C(CCCCCCCC(=O)OCC(CC)CCCC)O1 |