| SpectraBase Compound ID | 4tX9xkx94TY |
|---|---|
| InChI | InChI=1S/C6H5IN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2 |
| InChIKey | RIKZQOSCKSWUPH-UHFFFAOYSA-N |
| Mol Weight | 264.02 g/mol |
| Molecular Formula | C6H5IN2O2 |
| Exact Mass | 263.939572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JoI2BN7LxlV |
|---|---|
| Name | 4-Iodo-3-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.939572407 u |
| Formula | C6H5IN2O2 |
| InChI | InChI=1S/C6H5IN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2 |
| InChIKey | RIKZQOSCKSWUPH-UHFFFAOYSA-N |
| Molecular Weight | 264.022 g/mol |
| SMILES | C1(N)=CC(=C(C=C1)I)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967724 |