| SpectraBase Spectrum ID |
7LHnMZvxNGQ |
| Name |
Glutaric acid, 3-chlorophenyl 2,6-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.987941995 u |
| Formula |
C17H13Cl3O4 |
| InChI |
InChI=1S/C17H13Cl3O4/c18-11-4-1-5-12(10-11)23-15(21)8-3-9-16(22)24-17-13(19)6-2-7-14(17)20/h1-2,4-7,10H,3,8-9H2 |
| InChIKey |
SUGKFGTXVTVASX-UHFFFAOYSA-N |
| Molecular Weight |
387.646 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=C(C=CC=C1Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925956 |
