| SpectraBase Compound ID | HNEmkqLgfIj |
|---|---|
| InChI | InChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H,12,13,14) |
| InChIKey | HUAPCWQQWLAVCD-UHFFFAOYSA-N |
| Mol Weight | 260.06 g/mol |
| Molecular Formula | C9H7BrFNO2 |
| Exact Mass | 258.96442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J0BTggL3Cdc |
|---|---|
| Name | 2-Bromo-6-fluorobenzamide, ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.964419630 u |
| Formula | C9H7BrFNO2 |
| InChI | InChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H,12,13,14) |
| InChIKey | HUAPCWQQWLAVCD-UHFFFAOYSA-N |
| Molecular Weight | 260.062 g/mol |
| SMILES | C1(F)=C(C(=CC=C1)Br)C(=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966415 |