| SpectraBase Compound ID | 1AC6k73uM9P |
|---|---|
| InChI | InChI=1S/C7H4BrCl3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | CTZIGXAENKXNIF-UHFFFAOYSA-N |
| Mol Weight | 274.37 g/mol |
| Molecular Formula | C7H4BrCl3 |
| Exact Mass | 271.856196 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FYFadngPeoD |
|---|---|
| Name | 1-Bromanyl-2-(trichloromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.856196229 u |
| Formula | C7H4BrCl3 |
| InChI | InChI=1S/C7H4BrCl3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | CTZIGXAENKXNIF-UHFFFAOYSA-N |
| SMILES | C(C=1C(=CC=CC1)Br)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961786 |