| SpectraBase Compound ID | CPwdCcXJGvf |
|---|---|
| InChI | InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | RSGRRCWDCXLEHS-UHFFFAOYSA-N |
| Mol Weight | 317.35 g/mol |
| Molecular Formula | C6H3BrClI |
| Exact Mass | 315.815136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8k3uQLmmnl |
|---|---|
| Name | Benzene, 3-bromo-5-chloro-1-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.815135797 u |
| Formula | C6H3BrClI |
| InChI | InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | RSGRRCWDCXLEHS-UHFFFAOYSA-N |
| Molecular Weight | 317.351 g/mol |
| SMILES | C1=C(C=C(C=C1Br)I)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859827 |