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1-(4-Fluorophenyl)-4-(4-(3-(trifluoromethyl)phenyl)-3,6-dihydropyridin-1(2H)-yl)butan-1-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-(4-Fluorophenyl)-4-(4-(3-(trifluoromethyl)phenyl)-3,6-dihydropyridin-1(2H)-yl)butan-1-one
SpectraBase Compound ID A8Fs5HLLWQa
InChI InChI=1S/C22H21F4NO/c23-20-8-6-17(7-9-20)21(28)5-2-12-27-13-10-16(11-14-27)18-3-1-4-19(15-18)22(24,25)26/h1,3-4,6-10,15H,2,5,11-14H2
InChIKey GUUZNFHESGVWBQ-UHFFFAOYSA-N
Mol Weight 391.41 g/mol
Molecular Formula C22H21F4NO
Exact Mass 391.155927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6H7v3fH0A2
Name 1-(4-Fluorophenyl)-4-(4-(3-(trifluoromethyl)phenyl)-3,6-dihydropyridin-1(2H)-yl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.155926951 u
Formula C22H21F4NO
InChI InChI=1S/C22H21F4NO/c23-20-8-6-17(7-9-20)21(28)5-2-12-27-13-10-16(11-14-27)18-3-1-4-19(15-18)22(24,25)26/h1,3-4,6-10,15H,2,5,11-14H2
InChIKey GUUZNFHESGVWBQ-UHFFFAOYSA-N
Molecular Weight 391.410 g/mol
SMILES C1=C(C=CC(=C1)F)C(=O)CCCN1CCC(=CC1)C1=CC(=CC=C1)C(F)(F)F