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N-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(trifluoromethyl)benzamide
SpectraBase Compound ID D0PDXMJYas5
InChI InChI=1S/C17H10F9NO2/c18-15(19,20)12-4-2-1-3-11(12)13(28)27-10-7-5-9(6-8-10)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
InChIKey WJFJDPAJTWSSPX-UHFFFAOYSA-N
Mol Weight 431.26 g/mol
Molecular Formula C17H10F9NO2
Exact Mass 431.056782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9bjARyoAQX
Name N-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(trifluoromethyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 431.056782031 u
Formula C17H10F9NO2
InChI InChI=1S/C17H10F9NO2/c18-15(19,20)12-4-2-1-3-11(12)13(28)27-10-7-5-9(6-8-10)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
InChIKey WJFJDPAJTWSSPX-UHFFFAOYSA-N
Molecular Weight 431.258 g/mol
SMILES C(C1=C(C=CC=C1)C(F)(F)F)(=O)NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O