| SpectraBase Compound ID | KePRS0sYUYW |
|---|---|
| InChI | InChI=1S/C9H10IN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2 |
| InChIKey | ZQXQYUXPQKJFOZ-UHFFFAOYSA-N |
| Mol Weight | 259.09 g/mol |
| Molecular Formula | C9H10IN |
| Exact Mass | 258.985794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Z5slfa8NjM |
|---|---|
| Name | N-(2-Iodoallyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.985794326 u |
| Formula | C9H10IN |
| InChI | InChI=1S/C9H10IN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2 |
| InChIKey | ZQXQYUXPQKJFOZ-UHFFFAOYSA-N |
| Molecular Weight | 259.090 g/mol |
| SMILES | C=1(NCC(=C)I)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893178 |