SpectraBase Compound ID | 2yXrQ95mpqc |
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InChI | InChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2 |
InChIKey | PRZBEZGEEPNKRO-UHFFFAOYSA-N |
Mol Weight | 303.36 g/mol |
Molecular Formula | C6H3Br2ClFN |
Exact Mass | 300.830481 g/mol |
SpectraBase Spectrum ID | Gy3AK8IVE5R |
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Name | 3-Chloro-2,6-dibromo-4-fluoroaniline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 300.830480964 u |
Formula | C6H3Br2ClFN |
InChI | InChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2 |
InChIKey | PRZBEZGEEPNKRO-UHFFFAOYSA-N |
Molecular Weight | 303.356 g/mol |
SMILES | C1(=CC(Br)=C(C(=C1Cl)Br)N)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898344 |