| SpectraBase Spectrum ID |
JZJPgEUfRgm |
| Name |
Indane-1,3-dione, 2-(3-bromobenzyl)-2-(4-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.986570389 u |
| Formula |
C22H14BrClO2 |
| InChI |
InChI=1S/C22H14BrClO2/c23-16-5-3-4-14(12-16)13-22(15-8-10-17(24)11-9-15)20(25)18-6-1-2-7-19(18)21(22)26/h1-12H,13H2 |
| InChIKey |
IPQIFDQTABGQQV-UHFFFAOYSA-N |
| Molecular Weight |
425.709 g/mol |
| SMILES |
C1(C(C2=CC=CC=C2C1=O)=O)(C1=CC=C(C=C1)Cl)CC1=CC(Br)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871257 |
