| SpectraBase Spectrum ID |
FmJscaQJNi0 |
| Name |
Glutaric acid, 2-ethylhexyl 2,4-dimethylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-7-9-11-17(8-2)14-23-18(21)12-10-13-19(22)24-20(15(3)4)16(5)6/h15-17,20H,7-14H2,1-6H3 |
| InChIKey |
VOQIUEARBRVCPB-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC(C(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927122 |
