SpectraBase Compound ID | KqW4c1zdHFP |
---|---|
InChI | InChI=1S/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2 |
InChIKey | FXGQUGCFZKMIJW-UHFFFAOYSA-N |
Mol Weight | 180.11 g/mol |
Molecular Formula | C6H4F4N2 |
Exact Mass | 180.031061 g/mol |
SpectraBase Spectrum ID | CsxWHYXX3Ty |
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Name | 2,4,5,6-Tetrafluoro-m-phenylenediamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.031060789 u |
Formula | C6H4F4N2 |
InChI | InChI=1S/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2 |
InChIKey | FXGQUGCFZKMIJW-UHFFFAOYSA-N |
Molecular Weight | 180.106 g/mol |
SMILES | NC1=C(C(=C(C(=C1F)F)F)N)F |
Spectrum/Structure Validation Score (Raman) | 0.7233 |