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1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine

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

1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID 6ilO6NSwCpw
InChI InChI=1S/C20H25FN2O2S/c1-20(2,3)16-4-10-19(11-5-16)26(24,25)23-14-12-22(13-15-23)18-8-6-17(21)7-9-18/h4-11H,12-15H2,1-3H3
InChIKey BZRLJZQIANYGDR-UHFFFAOYSA-N
Mol Weight 376.49 g/mol
Molecular Formula C20H25FN2O2S
Exact Mass 376.162077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8f2wrJ1BhlT
Name 1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.162077388 u
Formula C20H25FN2O2S
InChI InChI=1S/C20H25FN2O2S/c1-20(2,3)16-4-10-19(11-5-16)26(24,25)23-14-12-22(13-15-23)18-8-6-17(21)7-9-18/h4-11H,12-15H2,1-3H3
InChIKey BZRLJZQIANYGDR-UHFFFAOYSA-N
Molecular Weight 376.490 g/mol
SMILES CC(C=1C=CC(S(N2CCN(CC2)C2=CC=C(C=C2)F)(=O)=O)=CC1)(C)C