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1-{[4-Ethoxy-2-methyl-5-(propan-2-yl)benzene]sulfonyl}-4-(2-methoxyphenyl)piperazine

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1-{[4-Ethoxy-2-methyl-5-(propan-2-yl)benzene]sulfonyl}-4-(2-methoxyphenyl)piperazine
SpectraBase Compound ID 7rCSySn9QBR
InChI InChI=1S/C23H32N2O4S/c1-6-29-22-15-18(4)23(16-19(22)17(2)3)30(26,27)25-13-11-24(12-14-25)20-9-7-8-10-21(20)28-5/h7-10,15-17H,6,11-14H2,1-5H3
InChIKey RPDFRRLHZQBYPM-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C23H32N2O4S
Exact Mass 432.208279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DXICmdgDdY
Name 1-{[4-Ethoxy-2-methyl-5-(propan-2-yl)benzene]sulfonyl}-4-(2-methoxyphenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.208278688 u
Formula C23H32N2O4S
InChI InChI=1S/C23H32N2O4S/c1-6-29-22-15-18(4)23(16-19(22)17(2)3)30(26,27)25-13-11-24(12-14-25)20-9-7-8-10-21(20)28-5/h7-10,15-17H,6,11-14H2,1-5H3
InChIKey RPDFRRLHZQBYPM-UHFFFAOYSA-N
Molecular Weight 432.579 g/mol
SMILES C=1C=CC(N2CCN(S(C=3C=C(C(C)C)C(=CC3C)OCC)(=O)=O)CC2)=C(OC)C1