| SpectraBase Spectrum ID |
GqvDe99i9Ws |
| Name |
Glutaric acid, 2-ethylhexyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-4-7-9-10-15-22-18(20)13-11-14-19(21)23-16-17(6-3)12-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
HFIBBLRDROYBLM-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCCCCCOC(CCCC(OCC(CCCC)CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810413 |
