| SpectraBase Spectrum ID |
8zth9AuY11E |
| Name |
Pimelic acid, di(2,4,4-trimethylpentyl) 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/c1-18(14-22(3,4)5)16-26-20(24)12-10-9-11-13-21(25)27-17-19(2)15-23(6,7)8/h18-19H,9-17H2,1-8H3 |
| InChIKey |
ZPRXJYHZQIEPII-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCC(C)CC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.994677 |
