| SpectraBase Spectrum ID |
wfjl3J4fnP |
| Name |
Pimelic acid, di(2-ethylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-5-16(6-2)14-22-18(20)12-10-9-11-13-19(21)23-15-17(7-3)8-4/h16-17H,5-15H2,1-4H3 |
| InChIKey |
IQAOYAFGSXUADL-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OCC(CC)CC)(=O)CCCCCC(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991121 |
