| SpectraBase Spectrum ID |
AoEKujOUHyK |
| Name |
Glutaric acid, 3-chlorophenyl 2,4-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/c18-11-3-1-4-13(9-11)23-16(21)5-2-6-17(22)24-15-8-7-12(19)10-14(15)20/h1,3-4,7-10H,2,5-6H2 |
| InChIKey |
GSKAHLWCFJCOEJ-UHFFFAOYSA-N |
| Molecular Weight |
387.646 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C(=CC(=CC1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963501 |
