| SpectraBase Spectrum ID |
1yvYziMm1Vi |
| Name |
Glutaric acid, 2-ethylhexyl 3-octyl 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/c1-5-9-11-14-19(8-4)25-21(23)16-12-15-20(22)24-17-18(7-3)13-10-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey |
JXVZTTXUGBJAJU-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC(CCCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972087 |
