| SpectraBase Compound ID | HwV3OvrEHLk |
|---|---|
| InChI | InChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | AZWJTBRXGIPLHX-UHFFFAOYSA-N |
| Mol Weight | 203.05 g/mol |
| Molecular Formula | C8H8BrF |
| Exact Mass | 201.979341 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JYtWa50v5s |
|---|---|
| Name | (1-Bromo-2-fluoroethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.979341421 u |
| Formula | C8H8BrF |
| InChI | InChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | AZWJTBRXGIPLHX-UHFFFAOYSA-N |
| Molecular Weight | 203.054 g/mol |
| SMILES | C=1(C(Br)CF)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965501 |