| SpectraBase Compound ID | 2PKtYZjKCxY |
|---|---|
| InChI | InChI=1S/C9H9BrFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13) |
| InChIKey | ZYPHUTLRFAVKHO-UHFFFAOYSA-N |
| Mol Weight | 246.08 g/mol |
| Molecular Formula | C9H9BrFNO |
| Exact Mass | 244.985155 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2vhoxtEu4a2 |
|---|---|
| Name | Propanamide, N-(4-fluorophenyl)-2-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.985155076 u |
| Formula | C9H9BrFNO |
| InChI | InChI=1S/C9H9BrFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13) |
| InChIKey | ZYPHUTLRFAVKHO-UHFFFAOYSA-N |
| Molecular Weight | 246.079 g/mol |
| SMILES | C(C)(C(=O)NC1=CC=C(C=C1)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929721 |