| SpectraBase Spectrum ID |
BHODUDNmpwP |
| Name |
Sebacic acid, 2-ethylbutyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-4-7-8-15-18-25-21(23)16-13-11-9-10-12-14-17-22(24)26-19-20(5-2)6-3/h20H,4-19H2,1-3H3 |
| InChIKey |
HWZVXAVPALPYKY-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCC(OCC(CC)CC)=O)CCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801986 |
