| SpectraBase Compound ID | 3lprx4rOJ4J |
|---|---|
| InChI | InChI=1S/C8H7BrClF/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5H2 |
| InChIKey | KXGWHKALOAXJPV-UHFFFAOYSA-N |
| Mol Weight | 237.5 g/mol |
| Molecular Formula | C8H7BrClF |
| Exact Mass | 235.940369 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4L55tNLkWhs |
|---|---|
| Name | 1-(2-Bromo-1-fluoroethyl)-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.940369088 u |
| Formula | C8H7BrClF |
| InChI | InChI=1S/C8H7BrClF/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5H2 |
| InChIKey | KXGWHKALOAXJPV-UHFFFAOYSA-N |
| Molecular Weight | 237.499 g/mol |
| SMILES | C=1(C=CC(=CC1)Cl)C(CBr)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92858 |