| SpectraBase Compound ID | F2QYZr1nkYP |
|---|---|
| InChI | InChI=1S/C7H6ClI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3 |
| InChIKey | ZIOGCIPQDRCAKY-UHFFFAOYSA-N |
| Mol Weight | 252.48 g/mol |
| Molecular Formula | C7H6ClI |
| Exact Mass | 251.920273 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 23TAFcEALEl |
|---|---|
| Name | Benzene, 4-chloro-2-iodo-1-methyl- |
| 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/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3 |
| InChIKey | ZIOGCIPQDRCAKY-UHFFFAOYSA-N |
| Molecular Weight | 252.482 g/mol |
| SMILES | C1(=C(C=CC(=C1)Cl)C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878508 |