| SpectraBase Spectrum ID |
E2Hxtg5Due |
| Name |
1-(4-Chloranyl-2-iodanyl-phenyl)-2-iodanyl-4-nitro-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.817646135 u |
| Formula |
C12H6ClI2NO2 |
| InChI |
InChI=1S/C12H6ClI2NO2/c13-7-1-3-9(11(14)5-7)10-4-2-8(16(17)18)6-12(10)15/h1-6H |
| InChIKey |
UIQRIRUHDDSNSZ-UHFFFAOYSA-N |
| Molecular Weight |
485.447 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(I)C(=CC1)C=1C(=CC(=CC1)Cl)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827386 |
