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[4-(2,4-Dimethylphenyl)piperazin-1-yl](2-methyl-3-nitrophenyl)methanone

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

[4-(2,4-Dimethylphenyl)piperazin-1-yl](2-methyl-3-nitrophenyl)methanone
SpectraBase Compound ID 9wqRoWY8h5X
InChI InChI=1S/C20H23N3O3/c1-14-7-8-18(15(2)13-14)21-9-11-22(12-10-21)20(24)17-5-4-6-19(16(17)3)23(25)26/h4-8,13H,9-12H2,1-3H3
InChIKey PMIYPRKSEKUKRC-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C20H23N3O3
Exact Mass 353.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fME1xAWa0k
Name [4-(2,4-Dimethylphenyl)piperazin-1-yl](2-methyl-3-nitrophenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.173941610 u
Formula C20H23N3O3
InChI InChI=1S/C20H23N3O3/c1-14-7-8-18(15(2)13-14)21-9-11-22(12-10-21)20(24)17-5-4-6-19(16(17)3)23(25)26/h4-8,13H,9-12H2,1-3H3
InChIKey PMIYPRKSEKUKRC-UHFFFAOYSA-N
Molecular Weight 353.422 g/mol
SMILES CC1=CC(C)=C(N2CCN(C(C3=C(C(N(=O)=O)=CC=C3)C)=O)CC2)C=C1