| SpectraBase Spectrum ID |
IrzIF7snfyK |
| Name |
2-[2,2-bis(4-Fluorophenyl)ethenyl]-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.963618954 u |
| Formula |
C20H9Cl3F2O2 |
| InChI |
InChI=1S/C20H9Cl3F2O2/c21-16-15(19(26)17(22)18(23)20(16)27)9-14(10-1-5-12(24)6-2-10)11-3-7-13(25)8-4-11/h1-9H |
| InChIKey |
YAJVVPMZVKQKAT-UHFFFAOYSA-N |
| Molecular Weight |
425.646 g/mol |
| SMILES |
C1(C(=C(C(C(=C1C=C(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F)Cl)=O)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931484 |
![2-[2,2-bis(4-Fluorophenyl)ethenyl]-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione](/api/spectrum/IrzIF7snfyK/structure.png?h=300&w=458 "2-[2,2-bis(4-Fluorophenyl)ethenyl]-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione")
