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1-Benzhydryl-4-[(4-bromophenyl)sulfonyl]piperazine

View entire compound with spectra: 2 NMR

1-Benzhydryl-4-[(4-bromophenyl)sulfonyl]piperazine
SpectraBase Compound ID FSxW1LweWh6
InChI InChI=1S/C23H23BrN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKey WMBTZOFOPYCVPT-UHFFFAOYSA-N
Mol Weight 471.41 g/mol
Molecular Formula C23H23BrN2O2S
Exact Mass 470.066362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAiGZS2kLGg
Name 1-Benzhydryl-4-[(4-bromophenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 470.066362161 u
Formula C23H23BrN2O2S
InChI InChI=1S/C23H23BrN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKey WMBTZOFOPYCVPT-UHFFFAOYSA-N
Molecular Weight 471.413 g/mol
SMILES C=1C=CC(C(N2CCN(S(C=3C=CC(Br)=CC3)(=O)=O)CC2)C2=CC=CC=C2)=CC1