| SpectraBase Compound ID | 73mRModLGut |
|---|---|
| InChI | InChI=1S/C9H6IN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3- |
| InChIKey | GKYCNCYYESLGTD-HYXAFXHYSA-N |
| Mol Weight | 255.06 g/mol |
| Molecular Formula | C9H6IN |
| Exact Mass | 254.954494 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jx1DRmtkJEN |
|---|---|
| Name | 2-Propenenitrile, 3-(2-iodophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.954494197 u |
| Formula | C9H6IN |
| InChI | InChI=1S/C9H6IN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3- |
| InChIKey | GKYCNCYYESLGTD-HYXAFXHYSA-N |
| Molecular Weight | 255.058 g/mol |
| SMILES | C1(=C(C=CC=C1)I)\C=C/C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910181 |