SpectraBase Compound ID | ESZ6OtvYNlY |
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InChI | InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 |
InChIKey | ZPGMWBFCBUKITA-UHFFFAOYSA-N |
Mol Weight | 287.39 g/mol |
Molecular Formula | C4Cl3F7 |
Exact Mass | 285.89538 g/mol |
SpectraBase Spectrum ID | GiuB8lOJuet |
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Name | 2,2,3-Trichloroperfluorobutane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 285.895380241 u |
Formula | C4Cl3F7 |
InChI | InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 |
InChIKey | ZPGMWBFCBUKITA-UHFFFAOYSA-N |
Molecular Weight | 287.392 g/mol |
SMILES | C(F)(F)(F)C(C(Cl)(F)C(F)(F)F)(Cl)Cl |
Spectrum/Structure Validation Score (Raman) | 0.9432 |