| SpectraBase Spectrum ID |
LArWSiFLe08 |
| Name |
Glutaric 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 |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-16(12-20(3,4)5)14-24-18(22)10-9-11-19(23)25-15-17(2)13-21(6,7)8/h16-17H,9-15H2,1-8H3 |
| InChIKey |
ARWFUUWYTHXGTH-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(OCC(CC(C)(C)C)C)(=O)CCCC(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.995586 |
