| SpectraBase Spectrum ID |
4P4oklRK91X |
| Name |
Pimelic acid, di(2-ethylhexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-5-9-14-20(7-3)18-26-22(24)16-12-11-13-17-23(25)27-19-21(8-4)15-10-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey |
FPUZLBVWHHRQAA-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(OCC(CC)CCCC)(=O)CCCCCC(OCC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.994763 |
