| SpectraBase Compound ID | AxfsRZY8xSX |
|---|---|
| InChI | InChI=1S/C6H5BrFNO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2 |
| InChIKey | MGQHWQPZDBGSTR-UHFFFAOYSA-N |
| Mol Weight | 206.01 g/mol |
| Molecular Formula | C6H5BrFNO |
| Exact Mass | 204.953855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H8NMUWW5tpj |
|---|---|
| Name | 2-Amino-4-bromo-5-fluorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.953854947 u |
| Formula | C6H5BrFNO |
| InChI | InChI=1S/C6H5BrFNO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2 |
| InChIKey | MGQHWQPZDBGSTR-UHFFFAOYSA-N |
| Molecular Weight | 206.014 g/mol |
| SMILES | C1(F)=C(C=C(C(=C1)O)N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97194 |