| SpectraBase Spectrum ID |
FMdmbOZX5Jb |
| Name |
Oxiraneoctanoic acid, 3-octyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925774 |
