| SpectraBase Compound ID | 15q3FBvpUhl |
|---|---|
| InChI | InChI=1S/C6H2Cl3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
| InChIKey | OQMMMNSQFMXSBX-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C6H2Cl3I |
| Exact Mass | 305.826678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9aGObIA3TNp |
|---|---|
| Name | 1,2,4-Trichloro-3-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.826678164 u |
| Formula | C6H2Cl3I |
| InChI | InChI=1S/C6H2Cl3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
| InChIKey | OQMMMNSQFMXSBX-UHFFFAOYSA-N |
| Molecular Weight | 307.345 g/mol |
| SMILES | C1(=C(C(Cl)=CC=C1Cl)I)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942001 |