| SpectraBase Compound ID | 53rVYFPy9iv |
|---|---|
| InChI | InChI=1S/C7H6INO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | HEMYUAPEXJWFCP-UHFFFAOYSA-N |
| Mol Weight | 247.04 g/mol |
| Molecular Formula | C7H6INO |
| Exact Mass | 246.949409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CywfPAua546 |
|---|---|
| Name | 3-Iodobenzoic amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.949408816 u |
| Formula | C7H6INO |
| InChI | InChI=1S/C7H6INO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | HEMYUAPEXJWFCP-UHFFFAOYSA-N |
| Molecular Weight | 247.035 g/mol |
| SMILES | C1=C(C=CC=C1I)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885538 |