| SpectraBase Compound ID | 7PWWQgFMfQQ |
|---|---|
| InChI | InChI=1S/C12H8BrNO2/c13-10-6-7-11(12(8-10)14(15)16)9-4-2-1-3-5-9/h1-8H |
| InChIKey | GTJFRSVWOUWTDJ-UHFFFAOYSA-N |
| Mol Weight | 278.11 g/mol |
| Molecular Formula | C12H8BrNO2 |
| Exact Mass | 276.973841 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AoANfafMjIc |
|---|---|
| Name | 4-Bromo-2-nitrobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.973841500 u |
| Formula | C12H8BrNO2 |
| InChI | InChI=1S/C12H8BrNO2/c13-10-6-7-11(12(8-10)14(15)16)9-4-2-1-3-5-9/h1-8H |
| InChIKey | GTJFRSVWOUWTDJ-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=CC1)Br)N(=O)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954115 |