| SpectraBase Spectrum ID |
OPJr5Pl4Uk |
| Name |
Sebacic acid, 3,3-dimethylbut-2-yl isobutyl 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/c1-16(2)15-23-18(21)13-11-9-7-8-10-12-14-19(22)24-17(3)20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey |
LKTCPSXTSMOLTL-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987305 |
