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2,6-Difluoro-N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)benzamide
SpectraBase Compound ID 3wheAPcT2Vu
InChI InChI=1S/C16H9F8NO2/c17-10-2-1-3-11(18)12(10)13(26)25-9-6-4-8(5-7-9)14(27,15(19,20)21)16(22,23)24/h1-7,27H,(H,25,26)
InChIKey FRZOLKRUNAZTSG-UHFFFAOYSA-N
Mol Weight 399.24 g/mol
Molecular Formula C16H9F8NO2
Exact Mass 399.050554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEmNmXvXToQ
Name 2,6-Difluoro-N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.050553836 u
Formula C16H9F8NO2
InChI InChI=1S/C16H9F8NO2/c17-10-2-1-3-11(18)12(10)13(26)25-9-6-4-8(5-7-9)14(27,15(19,20)21)16(22,23)24/h1-7,27H,(H,25,26)
InChIKey FRZOLKRUNAZTSG-UHFFFAOYSA-N
Molecular Weight 399.240 g/mol
SMILES C(C1=C(C=CC=C1F)F)(=O)NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O