| SpectraBase Spectrum ID |
6PVLFbbJcVz |
| Name |
Glutaric acid, 2,2-dichloroethyl 4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.003592059 u |
| Formula |
C14H15Cl3O4 |
| InChI |
InChI=1S/C14H15Cl3O4/c15-11-6-4-10(5-7-11)8-20-13(18)2-1-3-14(19)21-9-12(16)17/h4-7,12H,1-3,8-9H2 |
| InChIKey |
ADVCWFNLFATVFI-UHFFFAOYSA-N |
| Molecular Weight |
353.629 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977147 |
