| SpectraBase Spectrum ID |
Im7R4fg8vHd |
| Name |
Pimelic acid, 3,7-dimethyloctyl 4-methyl-2-pentyl 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(2)11-10-12-20(5)15-16-26-22(24)13-8-7-9-14-23(25)27-21(6)17-19(3)4/h18-21H,7-17H2,1-6H3 |
| InChIKey |
TTZQTCFUANRIIV-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OC(CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970281 |
