| SpectraBase Spectrum ID |
VcD2mfP84W |
| Name |
Glutaric acid, 2,2-dichloroethyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.120814713 u |
| Formula |
C15H26Cl2O4 |
| InChI |
InChI=1S/C15H26Cl2O4/c1-3-5-7-12(4-2)10-20-14(18)8-6-9-15(19)21-11-13(16)17/h12-13H,3-11H2,1-2H3 |
| InChIKey |
JQSTZUDPZOGIEB-UHFFFAOYSA-N |
| Molecular Weight |
341.275 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800772 |
