| SpectraBase Spectrum ID |
6kckaBzJjmy |
| Name |
Sebacic acid, butyl 3,3-dimethylbut-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/c1-6-7-16-23-18(21)14-12-10-8-9-11-13-15-19(22)24-17(2)20(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey |
YZIUOXLVTSPEOZ-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964384 |
