| SpectraBase Spectrum ID |
LKDdVduqknZ |
| Name |
Sebacic acid, 6-ethyloct-3-yl hexyl 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/c1-5-9-10-17-22-29-25(27)18-15-13-11-12-14-16-19-26(28)30-24(8-4)21-20-23(6-2)7-3/h23-24H,5-22H2,1-4H3 |
| InChIKey |
SMGCDBAUGZVGON-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898153 |
