| SpectraBase Spectrum ID |
257kHyTapHz |
| Name |
Sebacic acid, 6-ethyloct-3-yl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-6-23(7-2)19-20-24(8-3)30-26(28)18-14-12-10-9-11-13-17-25(27)29-21-15-16-22(4)5/h22-24H,6-21H2,1-5H3 |
| InChIKey |
PHEXCORQVZVHNS-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928372 |
