SpectraBase Compound ID | IRQnIhGEEde |
---|---|
InChI | InChI=1S/C4BrF9/c5-1(2(6,7)8,3(9,10)11)4(12,13)14 |
InChIKey | JJSXUJUWEOANEA-UHFFFAOYSA-N |
Mol Weight | 298.93 g/mol |
Molecular Formula | C4BrF9 |
Exact Mass | 297.903966 g/mol |
SpectraBase Spectrum ID | K5f4mzxCUIa |
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Name | Tris(trifluoromethyl) bromomethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 297.903966467 u |
Formula | C4BrF9 |
InChI | InChI=1S/C4BrF9/c5-1(2(6,7)8,3(9,10)11)4(12,13)14 |
InChIKey | JJSXUJUWEOANEA-UHFFFAOYSA-N |
Molecular Weight | 298.934 g/mol |
SMILES | C(Br)(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921989 |