| SpectraBase Spectrum ID |
5OpyRWinF9p |
| Name |
(2-Iodo-5-nitro-phenyl)-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.954888119 u |
| Formula |
C13H8INO3 |
| InChI |
InChI=1S/C13H8INO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H |
| InChIKey |
ZPNYGGSYJAJOIH-UHFFFAOYSA-N |
| Molecular Weight |
353.115 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C(=O)C2=CC=CC=C2)=C(C=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92794 |
