| SpectraBase Compound ID | INZaiBhXdpa |
|---|---|
| InChI | InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H |
| InChIKey | VJQGLUHOAIZTNK-UHFFFAOYSA-N |
| Mol Weight | 218.01 g/mol |
| Molecular Formula | C6H4BrNO3 |
| Exact Mass | 216.937456 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KhxOJImMmf1 |
|---|---|
| Name | 5-Bromo-3-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.937455990 u |
| Formula | C6H4BrNO3 |
| InChI | InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H |
| InChIKey | VJQGLUHOAIZTNK-UHFFFAOYSA-N |
| Molecular Weight | 218.006 g/mol |
| SMILES | C1(O)=CC(N(=O)=O)=CC(Br)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853238 |