| SpectraBase Spectrum ID |
8pVP70UrANy |
| Name |
Sebacic acid, di(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 |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-15(2)17(5)23-19(21)13-11-9-7-8-10-12-14-20(22)24-18(6)16(3)4/h15-18H,7-14H2,1-6H3 |
| InChIKey |
VICGIZKYAQUCEN-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(C(OC(C(C)C)C)=O)CCCCCCCC(OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950326 |
