| SpectraBase Spectrum ID |
G8zH0HCMGkM |
| Name |
Glutaric acid, 2,2-dichloroethyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.068779139 u |
| Formula |
C20H20Cl2O5 |
| InChI |
InChI=1S/C20H20Cl2O5/c21-18(22)14-26-20(24)11-5-10-19(23)25-13-15-6-4-9-17(12-15)27-16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2 |
| InChIKey |
NXHURRGYZYMSAY-UHFFFAOYSA-N |
| Molecular Weight |
411.281 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954498 |
