| SpectraBase Spectrum ID |
LEYHYnYSw9p |
| Name |
Sebacic acid, cis-non-3-enyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-5-6-7-10-13-16-19-26-22(24)17-14-11-8-9-12-15-18-23(25)27-20-21(2)3/h10,13,21H,4-9,11-12,14-20H2,1-3H3/b13-10- |
| InChIKey |
PQOZJTJYSSTWAZ-RAXLEYEMSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936429 |
