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1-[(4-Fluorophenyl)sulfonyl]-4-[(4-propylphenyl)sulfonyl]piperazine

View entire compound with spectra: 2 NMR

1-[(4-Fluorophenyl)sulfonyl]-4-[(4-propylphenyl)sulfonyl]piperazine
SpectraBase Compound ID 5EwDB95tCJ5
InChI InChI=1S/C19H23FN2O4S2/c1-2-3-16-4-8-18(9-5-16)27(23,24)21-12-14-22(15-13-21)28(25,26)19-10-6-17(20)7-11-19/h4-11H,2-3,12-15H2,1H3
InChIKey JYEVEBBMARWUNJ-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C19H23FN2O4S2
Exact Mass 426.108328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62Tn0Yc1tOf
Name 1-[(4-Fluorophenyl)sulfonyl]-4-[(4-propylphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 426.108327736 u
Formula C19H23FN2O4S2
InChI InChI=1S/C19H23FN2O4S2/c1-2-3-16-4-8-18(9-5-16)27(23,24)21-12-14-22(15-13-21)28(25,26)19-10-6-17(20)7-11-19/h4-11H,2-3,12-15H2,1H3
InChIKey JYEVEBBMARWUNJ-UHFFFAOYSA-N
Molecular Weight 426.521 g/mol
SMILES CCCC1=CC=C(S(=O)(=O)N2CCN(S(C3=CC=C(C=C3)F)(=O)=O)CC2)C=C1