| SpectraBase Compound ID | 3nKdMqKv5bx |
|---|---|
| InChI | InChI=1S/C7H3ClIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| InChIKey | MSYWVDNGKVMKIS-UHFFFAOYSA-N |
| Mol Weight | 263.47 g/mol |
| Molecular Formula | C7H3ClIN |
| Exact Mass | 262.899872 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JE9XfDvmOoM |
|---|---|
| Name | 2-Chloro-6-iodobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.899871801 u |
| Formula | C7H3ClIN |
| InChI | InChI=1S/C7H3ClIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| InChIKey | MSYWVDNGKVMKIS-UHFFFAOYSA-N |
| Molecular Weight | 263.465 g/mol |
| SMILES | C=1C(=C(C(=CC1)Cl)C#N)I |
| Spectrum/Structure Validation Score (Raman) | 0.939562 |