| SpectraBase Spectrum ID |
EgLTDt6PizP |
| Name |
Sebacic acid, 6-methylhept-2-yl pentyl 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/c1-5-6-13-19-26-22(24)17-11-9-7-8-10-12-18-23(25)27-21(4)16-14-15-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey |
BNMKOFJBUAAKED-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCC(C)C)C)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958376 |
