| SpectraBase Spectrum ID |
7FMCI34hDa7 |
| Name |
Sebacic acid, di(oct-3-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/c1-5-9-15-19-23(7-3)29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(8-4)20-16-10-6-2/h23-24H,5-22H2,1-4H3 |
| InChIKey |
RVRPRYDBPBDPAM-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCCC)CC)=O)C(OC(CCCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947269 |
