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Methyl 4-{[4-(2-methylbenzyl)-1-piperazinyl]sulfonyl}phenyl ether

View entire compound with spectra: 2 NMR

Methyl 4-{[4-(2-methylbenzyl)-1-piperazinyl]sulfonyl}phenyl ether
SpectraBase Compound ID 556ewShi3Hx
InChI InChI=1S/C19H24N2O3S/c1-16-5-3-4-6-17(16)15-20-11-13-21(14-12-20)25(22,23)19-9-7-18(24-2)8-10-19/h3-10H,11-15H2,1-2H3
InChIKey QNPZSWGTZUKDNJ-UHFFFAOYSA-N
Mol Weight 360.47 g/mol
Molecular Formula C19H24N2O3S
Exact Mass 360.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SJoKGDJJlr
Name Methyl 4-{[4-(2-methylbenzyl)-1-piperazinyl]sulfonyl}phenyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.150763812 u
Formula C19H24N2O3S
InChI InChI=1S/C19H24N2O3S/c1-16-5-3-4-6-17(16)15-20-11-13-21(14-12-20)25(22,23)19-9-7-18(24-2)8-10-19/h3-10H,11-15H2,1-2H3
InChIKey QNPZSWGTZUKDNJ-UHFFFAOYSA-N
Molecular Weight 360.472 g/mol
SMILES C1=CC=C(CN2CCN(S(C3=CC=C(C=C3)OC)(=O)=O)CC2)C(C)=C1