| SpectraBase Spectrum ID |
LTLu4qzXtlD |
| Name |
Sebacic acid, di(2-methylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-17(3)15-23-19(21)13-11-9-7-8-10-12-14-20(22)24-16-18(4)6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey |
GFEOHRFVFWCUNN-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCC(OCC(C)CC)=O)CCC(OCC(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.99535 |
