| SpectraBase Spectrum ID |
1DEN2Ke27w0 |
| Name |
Pimelic acid, 2-ethylhexyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-4-7-12-16-23-19(21)14-10-9-11-15-20(22)24-17-18(6-3)13-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey |
CEIMSBITYWOONI-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888298 |
