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

View entire compound with spectra: 2 NMR

1-[(4-Fluorophenyl)sulfonyl]-4-[(4-methylphenyl)sulfonyl]piperazine
SpectraBase Compound ID 7vJn12ZJj0C
InChI InChI=1S/C17H19FN2O4S2/c1-14-2-6-16(7-3-14)25(21,22)19-10-12-20(13-11-19)26(23,24)17-8-4-15(18)5-9-17/h2-9H,10-13H2,1H3
InChIKey BWWSCTZAOCWXLX-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C17H19FN2O4S2
Exact Mass 398.077028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35rQde29eQo
Name 1-[(4-Fluorophenyl)sulfonyl]-4-[(4-methylphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 398.077027607 u
Formula C17H19FN2O4S2
InChI InChI=1S/C17H19FN2O4S2/c1-14-2-6-16(7-3-14)25(21,22)19-10-12-20(13-11-19)26(23,24)17-8-4-15(18)5-9-17/h2-9H,10-13H2,1H3
InChIKey BWWSCTZAOCWXLX-UHFFFAOYSA-N
Molecular Weight 398.467 g/mol
SMILES CC1=CC=C(S(N2CCN(S(C3=CC=C(C=C3)F)(=O)=O)CC2)(=O)=O)C=C1