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Piperazine, 1-(2-fluorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)-
SpectraBase Compound ID 4Fa4ddNJw7T
InChI InChI=1S/C18H21FN2O3S/c1-14-7-8-17(24-2)18(13-14)25(22,23)21-11-9-20(10-12-21)16-6-4-3-5-15(16)19/h3-8,13H,9-12H2,1-2H3
InChIKey YQPBNKQEZCPNSS-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C18H21FN2O3S
Exact Mass 364.125692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2USHvS2e6Lw
Name Piperazine, 1-(2-fluorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 364.125691878 u
Formula C18H21FN2O3S
InChI InChI=1S/C18H21FN2O3S/c1-14-7-8-17(24-2)18(13-14)25(22,23)21-11-9-20(10-12-21)16-6-4-3-5-15(16)19/h3-8,13H,9-12H2,1-2H3
InChIKey YQPBNKQEZCPNSS-UHFFFAOYSA-N
Molecular Weight 364.435 g/mol
SMILES C1=CC=C(C(=C1)F)N1CCN(S(C2=C(C=CC(=C2)C)OC)(=O)=O)CC1