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1-[(4-Tert-butylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

View entire compound with spectra: 2 NMR

1-[(4-Tert-butylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID GC6GiUaUF
InChI InChI=1S/C21H25F3N2O2S/c1-20(2,3)16-7-9-19(10-8-16)29(27,28)26-13-11-25(12-14-26)18-6-4-5-17(15-18)21(22,23)24/h4-10,15H,11-14H2,1-3H3
InChIKey JRQCWQHJCLPLNY-UHFFFAOYSA-N
Mol Weight 426.5 g/mol
Molecular Formula C21H25F3N2O2S
Exact Mass 426.158884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 196tFvBUJ0i
Name 1-[(4-Tert-butylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.158883714 u
Formula C21H25F3N2O2S
InChI InChI=1S/C21H25F3N2O2S/c1-20(2,3)16-7-9-19(10-8-16)29(27,28)26-13-11-25(12-14-26)18-6-4-5-17(15-18)21(22,23)24/h4-10,15H,11-14H2,1-3H3
InChIKey JRQCWQHJCLPLNY-UHFFFAOYSA-N
Molecular Weight 426.498 g/mol
SMILES CC(C1=CC=C(S(N2CCN(CC2)C=2C=C(C(F)(F)F)C=CC2)(=O)=O)C=C1)(C)C