| SpectraBase Compound ID | 27sxv2u4VPN |
|---|---|
| InChI | InChI=1S/C7H5BrFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | IWODMEGZVDWKPK-UHFFFAOYSA-N |
| Mol Weight | 218.03 g/mol |
| Molecular Formula | C7H5BrFNO |
| Exact Mass | 216.953855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2CPq44po1h |
|---|---|
| Name | 2-Bromo-4-fluorobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.953854947 u |
| Formula | C7H5BrFNO |
| InChI | InChI=1S/C7H5BrFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | IWODMEGZVDWKPK-UHFFFAOYSA-N |
| Molecular Weight | 218.025 g/mol |
| SMILES | C1(Br)=C(C(=O)N)C=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861698 |