| SpectraBase Spectrum ID |
Fxvb6zk2FZY |
| Name |
Sebacic acid, pentyl 2-propylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-4-7-14-19-26-22(24)17-12-10-8-9-11-13-18-23(25)27-20-21(15-5-2)16-6-3/h21H,4-20H2,1-3H3 |
| InChIKey |
ZOYQKTUQTYSMCP-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98593 |
