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Piperazine, 1-[(3-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfonyl]-

View entire compound with spectra: 2 NMR

Piperazine, 1-[(3-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID EvFyrsYlt1z
InChI InChI=1S/C18H21FN2O2S/c1-15-5-7-18(8-6-15)24(22,23)21-11-9-20(10-12-21)14-16-3-2-4-17(19)13-16/h2-8,13H,9-12,14H2,1H3
InChIKey NIEPMCZJVBAOSR-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C18H21FN2O2S
Exact Mass 348.130777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78JX5YlzF46
Name Piperazine, 1-[(3-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 348.130777259 u
Formula C18H21FN2O2S
InChI InChI=1S/C18H21FN2O2S/c1-15-5-7-18(8-6-15)24(22,23)21-11-9-20(10-12-21)14-16-3-2-4-17(19)13-16/h2-8,13H,9-12,14H2,1H3
InChIKey NIEPMCZJVBAOSR-UHFFFAOYSA-N
Molecular Weight 348.436 g/mol
SMILES CC=1C=CC(S(N2CCN(CC2)CC=2C=C(F)C=CC2)(=O)=O)=CC1