| SpectraBase Compound ID | K7BhtFwD4an |
|---|---|
| InChI | InChI=1S/C7H7BrF2N2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,12H,11H2,1H3 |
| InChIKey | MDQHTXCGSHNVFE-UHFFFAOYSA-N |
| Mol Weight | 237.05 g/mol |
| Molecular Formula | C7H7BrF2N2 |
| Exact Mass | 235.976068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2F42GoDRcOO |
|---|---|
| Name | 4-Bromo-5,6-difluoro-1-N-methylbenzene-1,2-diamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.976067559 u |
| Formula | C7H7BrF2N2 |
| InChI | InChI=1S/C7H7BrF2N2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,12H,11H2,1H3 |
| InChIKey | MDQHTXCGSHNVFE-UHFFFAOYSA-N |
| Molecular Weight | 237.048 g/mol |
| SMILES | C1(F)=C(C(=C(C=C1Br)N)NC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920671 |