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1-Benzyl-4-[(5-isopropyl-4-methoxy-2-methylphenyl)sulfonyl]piperazine

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1-Benzyl-4-[(5-isopropyl-4-methoxy-2-methylphenyl)sulfonyl]piperazine
SpectraBase Compound ID 4tY74S8XKQg
InChI InChI=1S/C22H30N2O3S/c1-17(2)20-15-22(18(3)14-21(20)27-4)28(25,26)24-12-10-23(11-13-24)16-19-8-6-5-7-9-19/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKey LVYJKRIXRXEBOZ-UHFFFAOYSA-N
Mol Weight 402.55 g/mol
Molecular Formula C22H30N2O3S
Exact Mass 402.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hRkPNnclPD
Name 1-Benzyl-4-[(5-isopropyl-4-methoxy-2-methylphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.197714005 u
Formula C22H30N2O3S
InChI InChI=1S/C22H30N2O3S/c1-17(2)20-15-22(18(3)14-21(20)27-4)28(25,26)24-12-10-23(11-13-24)16-19-8-6-5-7-9-19/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKey LVYJKRIXRXEBOZ-UHFFFAOYSA-N
Molecular Weight 402.553 g/mol
SMILES C=1C=CC(CN2CCN(S(C3=CC(C(C)C)=C(C=C3C)OC)(=O)=O)CC2)=CC1