| SpectraBase Spectrum ID |
8xPsxTZLC1e |
| Name |
Sebacic acid, butyl 2-ethylbutyl 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/c1-4-7-16-23-19(21)14-12-10-8-9-11-13-15-20(22)24-17-18(5-2)6-3/h18H,4-17H2,1-3H3 |
| InChIKey |
HDZNPXRNXZILMV-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCC(OCC(CC)CC)=O)CCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990772 |
