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Ethanone, 1-[4-[4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]-1-piperazinyl]phenyl]-
SpectraBase Compound ID 4qCdpqeMq09
InChI InChI=1S/C22H26N2O5S/c1-17(25)18-3-5-19(6-4-18)23-12-14-24(15-13-23)22(26)11-16-30(27,28)21-9-7-20(29-2)8-10-21/h3-10H,11-16H2,1-2H3
InChIKey TVHJLFOYCXXRFQ-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C22H26N2O5S
Exact Mass 430.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOsYK29BMjp
Name Ethanone, 1-[4-[4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]-1-piperazinyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.156243114 u
Formula C22H26N2O5S
InChI InChI=1S/C22H26N2O5S/c1-17(25)18-3-5-19(6-4-18)23-12-14-24(15-13-23)22(26)11-16-30(27,28)21-9-7-20(29-2)8-10-21/h3-10H,11-16H2,1-2H3
InChIKey TVHJLFOYCXXRFQ-UHFFFAOYSA-N
Molecular Weight 430.519 g/mol
SMILES COC1=CC=C(S(CCC(N2CCN(CC2)C2=CC=C(C=C2)C(=O)C)=O)(=O)=O)C=C1