| SpectraBase Spectrum ID |
GwBoLTVwFyh |
| Name |
Sebacic acid, isohexyl oct-3-en-2-yl 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/c1-5-6-7-12-17-22(4)28-24(26)19-14-11-9-8-10-13-18-23(25)27-20-15-16-21(2)3/h12,17,21-22H,5-11,13-16,18-20H2,1-4H3/b17-12+ |
| InChIKey |
DEEIJEDMIWYIAI-SFQUDFHCSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84358 |
