| SpectraBase Spectrum ID |
8rMHUQCwT5y |
| Name |
Sebacic acid, cis-non-3-enyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11- |
| InChIKey |
YGJDSBUVWVZMEW-KAMYIIQDSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873356 |
