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Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-[(2-methoxyphenyl)methyl]-
SpectraBase Compound ID INEz6dCd5QL
InChI InChI=1S/C18H21FN2O3S/c1-24-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)25(22,23)17-8-6-16(19)7-9-17/h2-9H,10-14H2,1H3
InChIKey GOYSXEFLZMELRO-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 6DbfJoWB52i
Name Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-[(2-methoxyphenyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 364.125691878 u
Formula C18H21FN2O3S
InChI InChI=1S/C18H21FN2O3S/c1-24-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)25(22,23)17-8-6-16(19)7-9-17/h2-9H,10-14H2,1H3
InChIKey GOYSXEFLZMELRO-UHFFFAOYSA-N
Molecular Weight 364.435 g/mol
SMILES C1=CC=C(CN2CCN(S(C=3C=CC(=CC3)F)(=O)=O)CC2)C(OC)=C1