| SpectraBase Spectrum ID |
8gvQpYfzd1i |
| Name |
Sebacic acid, 2-ethylbutyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-4-7-14-17-24-20(22)15-12-10-8-9-11-13-16-21(23)25-18-19(5-2)6-3/h19H,4-18H2,1-3H3 |
| InChIKey |
NUUCLUKCKZAAEE-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCC(OCC(CC)CC)=O)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967722 |
