| SpectraBase Spectrum ID |
4wfbmOsUwQZ |
| Name |
Pimelic acid, di(2-methylpentyl) 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/c1-5-10-16(3)14-22-18(20)12-8-7-9-13-19(21)23-15-17(4)11-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey |
WIMLMBQHPOQQNI-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OCC(C)CCC)(=O)CCCCCC(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991199 |
