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[4-(Toluene-4-sulfonyl)piperazin-1-yl](p-tolyl)methanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[4-(Toluene-4-sulfonyl)piperazin-1-yl](p-tolyl)methanone
SpectraBase Compound ID 4vxX7SdWN4w
InChI InChI=1S/C19H22N2O3S/c1-15-3-7-17(8-4-15)19(22)20-11-13-21(14-12-20)25(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey RWALYLCZVKQOPN-UHFFFAOYSA-N
Mol Weight 358.46 g/mol
Molecular Formula C19H22N2O3S
Exact Mass 358.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0QZNlyrsRh
Name [4-(Toluene-4-sulfonyl)piperazin-1-yl](p-tolyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.135113747 u
Formula C19H22N2O3S
InChI InChI=1S/C19H22N2O3S/c1-15-3-7-17(8-4-15)19(22)20-11-13-21(14-12-20)25(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey RWALYLCZVKQOPN-UHFFFAOYSA-N
Molecular Weight 358.456 g/mol
SMILES CC1=CC=C(C(N2CCN(S(C=3C=CC(C)=CC3)(=O)=O)CC2)=O)C=C1