| SpectraBase Compound ID | IsMPtJSvE5e |
|---|---|
| InChI | InChI=1S/C7H7BrFN/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3 |
| InChIKey | PYSVBVGSPMLRRH-UHFFFAOYSA-N |
| Mol Weight | 204.04 g/mol |
| Molecular Formula | C7H7BrFN |
| Exact Mass | 202.97459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8bwsa0feqbF |
|---|---|
| Name | 3-Bromo-5-fluoro-4-methylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.974590392 u |
| Formula | C7H7BrFN |
| InChI | InChI=1S/C7H7BrFN/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3 |
| InChIKey | PYSVBVGSPMLRRH-UHFFFAOYSA-N |
| Molecular Weight | 204.042 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)N)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958258 |