| SpectraBase Compound ID | FQUIn8kZuUl |
|---|---|
| InChI | InChI=1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | MMBDKGFWRIYSRD-UHFFFAOYSA-N |
| Mol Weight | 252.48 g/mol |
| Molecular Formula | C7H6ClI |
| Exact Mass | 251.920273 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KkoURXFvg7m |
|---|---|
| Name | 2-Chloro-5-iodotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.920272893 u |
| Formula | C7H6ClI |
| InChI | InChI=1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | MMBDKGFWRIYSRD-UHFFFAOYSA-N |
| Molecular Weight | 252.482 g/mol |
| SMILES | C1(Cl)=C(C=C(C=C1)I)C |
| Spectrum/Structure Validation Score (Raman) | 0.933908 |