| SpectraBase Compound ID | 7NKdMiZl3UJ |
|---|---|
| InChI | InChI=1S/C12H9I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | KAQUBIATNWQNRE-UHFFFAOYSA-N |
| Mol Weight | 280.11 g/mol |
| Molecular Formula | C12H9I |
| Exact Mass | 279.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DNqRBUea6hZ |
|---|---|
| Name | 3-Iodobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.974895290 u |
| Formula | C12H9I |
| InChI | InChI=1S/C12H9I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | KAQUBIATNWQNRE-UHFFFAOYSA-N |
| Molecular Weight | 280.108 g/mol |
| SMILES | C1(I)=CC(=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950684 |