| SpectraBase Compound ID | Cpa6tcYtddo |
|---|---|
| InChI | InChI=1S/C7H2BrClF4/c8-4-2-6(10)3(1-5(4)9)7(11,12)13/h1-2H |
| InChIKey | VVHBNEMABCKSMQ-UHFFFAOYSA-N |
| Mol Weight | 277.44 g/mol |
| Molecular Formula | C7H2BrClF4 |
| Exact Mass | 275.896453 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 77foSoR1HHm |
|---|---|
| Name | 1-Bromo-2-chloro-5-fluoro-4-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.896453416 u |
| Formula | C7H2BrClF4 |
| InChI | InChI=1S/C7H2BrClF4/c8-4-2-6(10)3(1-5(4)9)7(11,12)13/h1-2H |
| InChIKey | VVHBNEMABCKSMQ-UHFFFAOYSA-N |
| Molecular Weight | 277.444 g/mol |
| SMILES | C1(=C(C=C(C(=C1)F)C(F)(F)F)Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949681 |