| SpectraBase Compound ID | 1iYZTlwsAr8 |
|---|---|
| InChI | InChI=1S/C6H4INO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H |
| InChIKey | RHWDEIXKHGCDOG-UHFFFAOYSA-N |
| Mol Weight | 265.01 g/mol |
| Molecular Formula | C6H4INO3 |
| Exact Mass | 264.923588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ayN4DaTP68 |
|---|---|
| Name | 4-Iodo-2-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.923587990 u |
| Formula | C6H4INO3 |
| InChI | InChI=1S/C6H4INO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H |
| InChIKey | RHWDEIXKHGCDOG-UHFFFAOYSA-N |
| Molecular Weight | 265.006 g/mol |
| SMILES | C=1(C(=CC(=CC1)I)[N+](=O)[O-])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968991 |