| SpectraBase Spectrum ID |
CHsHBVhvvpy |
| Name |
Sebacic acid, 4-methylhept-3-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/c1-5-8-15-19-26-22(24)17-13-11-9-10-12-14-18-23(25)27-21(7-3)20(4)16-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey |
PKLJKBRKYRFJCT-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921062 |
