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2,2,3,3,4,4,4-Heptafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)butanamide

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2,2,3,3,4,4,4-Heptafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
SpectraBase Compound ID 3DlXNIBM4tp
InChI InChI=1S/C21H19F7N2O/c22-19(23,20(24,25)21(26,27)28)18(31)30(16-9-5-2-6-10-16)17-11-13-29(14-12-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKey HQCNFXIXYNDCMQ-UHFFFAOYSA-N
Mol Weight 448.38 g/mol
Molecular Formula C21H19F7N2O
Exact Mass 448.13856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8V9JdWBV5n
Name 2,2,3,3,4,4,4-Heptafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.138560380 u
Formula C21H19F7N2O
InChI InChI=1S/C21H19F7N2O/c22-19(23,20(24,25)21(26,27)28)18(31)30(16-9-5-2-6-10-16)17-11-13-29(14-12-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKey HQCNFXIXYNDCMQ-UHFFFAOYSA-N
Molecular Weight 448.385 g/mol
SMILES C(C(C(N(C1CCN(C=2C=CC=CC2)CC1)C=1C=CC=CC1)=O)(F)F)(C(F)(F)F)(F)F