| SpectraBase Spectrum ID |
6hkXir0cZ0r |
| Name |
Glutaric acid, 6-ethyloct-3-yl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-6-18(7-2)14-15-19(8-3)25-21(23)13-9-12-20(22)24-16-10-11-17(4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey |
OCLXJBIAOOIBMZ-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
CCC(OC(=O)CCCC(OCCCC(C)C)=O)CCC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885484 |
