| SpectraBase Compound ID | 9ayFeJJjxqH |
|---|---|
| InChI | InChI=1S/C7H5BrClI/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3 |
| InChIKey | SEFKIVWHFWHXLG-UHFFFAOYSA-N |
| Mol Weight | 331.38 g/mol |
| Molecular Formula | C7H5BrClI |
| Exact Mass | 329.830786 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XRwFFK8cjO |
|---|---|
| Name | 5-Bromo-4-chloro-2-iodotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.830785861 u |
| Formula | C7H5BrClI |
| InChI | InChI=1S/C7H5BrClI/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3 |
| InChIKey | SEFKIVWHFWHXLG-UHFFFAOYSA-N |
| Molecular Weight | 331.378 g/mol |
| SMILES | C1(I)=C(C=C(C(=C1)Cl)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870264 |