SpectraBase Spectrum ID |
DHYCkoL4gN0 |
Name |
Sebacic acid, dec-4-enyl butyl 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/c1-3-5-7-8-9-12-15-18-22-28-24(26)20-17-14-11-10-13-16-19-23(25)27-21-6-4-2/h9,12H,3-8,10-11,13-22H2,1-2H3/b12-9+ |
InChIKey |
JJUQHYDTBPUZHP-FMIVXFBMSA-N |
Molecular Weight |
396.612 g/mol |
SMILES |
C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874001 |