| SpectraBase Spectrum ID |
6R0T0kUUBbQ |
| Name |
Sebacic acid, dineopentyl 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/c1-19(2,3)15-23-17(21)13-11-9-7-8-10-12-14-18(22)24-16-20(4,5)6/h7-16H2,1-6H3 |
| InChIKey |
VCALNDGQONHISJ-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCC(OCC(C)(C)C)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.993513 |
