| SpectraBase Spectrum ID |
DfYewrIU46W |
| Name |
Glutaric acid, 2,2-dichloroethyl 2-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.058214456 u |
| Formula |
C15H18Cl2O4 |
| InChI |
InChI=1S/C15H18Cl2O4/c1-2-11-6-3-4-7-12(11)21-15(19)9-5-8-14(18)20-10-13(16)17/h3-4,6-7,13H,2,5,8-10H2,1H3 |
| InChIKey |
GBOQTHDVAQPBNL-UHFFFAOYSA-N |
| Molecular Weight |
333.211 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC=1C(CC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863452 |
