For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(4-{[4'-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one

View entire compound with spectra: 1 NMR

1-(4-{[4'-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one
SpectraBase Compound ID C8zCiN1z7UG
InChI InChI=1S/C26H30F6N2O2/c1-23(2,3)16-22(35)34-14-12-33(13-15-34)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(36,25(27,28)29)26(30,31)32/h4-11,36H,12-17H2,1-3H3
InChIKey NYPFIWHDYDKUFM-UHFFFAOYSA-N
Mol Weight 516.53 g/mol
Molecular Formula C26H30F6N2O2
Exact Mass 516.221147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CyHLkyfeSQ1
Name 1-(4-{[4'-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.221147190 u
Formula C26H30F6N2O2
InChI InChI=1S/C26H30F6N2O2/c1-23(2,3)16-22(35)34-14-12-33(13-15-34)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(36,25(27,28)29)26(30,31)32/h4-11,36H,12-17H2,1-3H3
InChIKey NYPFIWHDYDKUFM-UHFFFAOYSA-N
Molecular Weight 516.528 g/mol
SMILES C(CC(C)(C)C)(=O)N1CCN(CC1)CC=1C=CC(=CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O