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1-(2-Fluorobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

View entire compound with spectra: 2 NMR

1-(2-Fluorobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID H5dwOtuMPj9
InChI InChI=1S/C18H21FN2O3S/c1-24-16-6-8-17(9-7-16)25(22,23)21-12-10-20(11-13-21)14-15-4-2-3-5-18(15)19/h2-9H,10-14H2,1H3
InChIKey HZSIQSXVXCSBCJ-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 C3abTot06xY
Name 1-(2-Fluorobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 364.125691878 u
Formula C18H21FN2O3S
InChI InChI=1S/C18H21FN2O3S/c1-24-16-6-8-17(9-7-16)25(22,23)21-12-10-20(11-13-21)14-15-4-2-3-5-18(15)19/h2-9H,10-14H2,1H3
InChIKey HZSIQSXVXCSBCJ-UHFFFAOYSA-N
Molecular Weight 364.435 g/mol
SMILES C1=CC=C(CN2CCN(S(C3=CC=C(C=C3)OC)(=O)=O)CC2)C(F)=C1