| SpectraBase Compound ID | HzjU3oAesNr |
|---|---|
| InChI | InChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2 |
| InChIKey | XGAMLBPEVCLQEJ-UHFFFAOYSA-N |
| Mol Weight | 205.03 g/mol |
| Molecular Formula | C7H6BrFO |
| Exact Mass | 203.958606 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D3VRZTgl3f2 |
|---|---|
| Name | (2-Bromo-4-fluorophenyl)methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.958605975 u |
| Formula | C7H6BrFO |
| InChI | InChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2 |
| InChIKey | XGAMLBPEVCLQEJ-UHFFFAOYSA-N |
| Molecular Weight | 205.026 g/mol |
| SMILES | C=1(C(=CC=C(C1)F)CO)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894257 |