| SpectraBase Spectrum ID |
I5z9sFne8YZ |
| Name |
Glutaric acid, 2-ethylhexyl 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 |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-7-9-11-18(8-2)16-25-20(23)13-10-12-19(22)24-15-17(3)14-21(4,5)6/h17-18H,7-16H2,1-6H3 |
| InChIKey |
YUJSMKOVQIPNOD-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97797 |
