| SpectraBase Spectrum ID |
8jsVZp9Yn2l |
| Name |
Sebacic acid, 6-ethyloct-3-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-5-9-16-21-28-24(26)17-14-12-10-11-13-15-18-25(27)29-23(8-4)20-19-22(6-2)7-3/h22-23H,5-21H2,1-4H3 |
| InChIKey |
RENSNPGBZIFDIS-UHFFFAOYSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966525 |
