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

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

[4-(3,4-Dichlorophenyl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
SpectraBase Compound ID 6zU6DAOjMph
InChI InChI=1S/C18H17Cl2N3O3/c1-12-2-3-13(10-17(12)23(25)26)18(24)22-8-6-21(7-9-22)14-4-5-15(19)16(20)11-14/h2-5,10-11H,6-9H2,1H3
InChIKey RPKVPXWOEUHOKN-UHFFFAOYSA-N
Mol Weight 394.26 g/mol
Molecular Formula C18H17Cl2N3O3
Exact Mass 393.064697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpzQqMu0QSZ
Name [4-(3,4-Dichlorophenyl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.064696816 u
Formula C18H17Cl2N3O3
InChI InChI=1S/C18H17Cl2N3O3/c1-12-2-3-13(10-17(12)23(25)26)18(24)22-8-6-21(7-9-22)14-4-5-15(19)16(20)11-14/h2-5,10-11H,6-9H2,1H3
InChIKey RPKVPXWOEUHOKN-UHFFFAOYSA-N
Molecular Weight 394.258 g/mol
SMILES C1CN(CCN1C(=O)C1=CC=C(C)C(N(=O)=O)=C1)C1=CC=C(C(=C1)Cl)Cl