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Piperazine, 1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-[(4-fluorophenyl)methyl]-

View entire compound with spectra: 2 NMR

Piperazine, 1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-[(4-fluorophenyl)methyl]-
SpectraBase Compound ID L8d0kEkIrCz
InChI InChI=1S/C18H20ClFN2O3S/c1-25-17-7-4-15(19)12-18(17)26(23,24)22-10-8-21(9-11-22)13-14-2-5-16(20)6-3-14/h2-7,12H,8-11,13H2,1H3
InChIKey UEFUCXCACANBQX-UHFFFAOYSA-N
Mol Weight 398.88 g/mol
Molecular Formula C18H20ClFN2O3S
Exact Mass 398.08672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 114FbdlRrUG
Name Piperazine, 1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-[(4-fluorophenyl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.086719546 u
Formula C18H20ClFN2O3S
InChI InChI=1S/C18H20ClFN2O3S/c1-25-17-7-4-15(19)12-18(17)26(23,24)22-10-8-21(9-11-22)13-14-2-5-16(20)6-3-14/h2-7,12H,8-11,13H2,1H3
InChIKey UEFUCXCACANBQX-UHFFFAOYSA-N
Molecular Weight 398.880 g/mol
SMILES COC1=C(S(N2CCN(CC2)CC=2C=CC(=CC2)F)(=O)=O)C=C(Cl)C=C1