| SpectraBase Spectrum ID |
RmJDOrl0Fn |
| Name |
Sebacic acid, isobutyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-15(2)14-22-18(20)12-10-8-6-7-9-11-13-19(21)23-17(5)16(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey |
XYQJYLFRRUEMGA-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(C(OC(C(C)C)C)=O)CCCCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988831 |
