| SpectraBase Spectrum ID |
8OqQyv046Qp |
| Name |
Sebacic acid, di(6-methylhept-2-yl) 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/c1-21(2)15-13-17-23(5)29-25(27)19-11-9-7-8-10-12-20-26(28)30-24(6)18-14-16-22(3)4/h21-24H,7-20H2,1-6H3 |
| InChIKey |
BKEWEIYKDTTWRH-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCC(C)C)C)=O)C(OC(CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949933 |
