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1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-(3-chlorophenyl)piperazine
SpectraBase Compound ID FvD7RB3Gkpu
InChI InChI=1S/C20H22Cl2N2O2/c1-14-12-17(22)6-7-19(14)26-15(2)20(25)24-10-8-23(9-11-24)18-5-3-4-16(21)13-18/h3-7,12-13,15H,8-11H2,1-2H3
InChIKey DWTKYCQVOMTDED-UHFFFAOYSA-N
Mol Weight 393.31 g/mol
Molecular Formula C20H22Cl2N2O2
Exact Mass 392.105833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iv7m0ft5BC
Name 1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-(3-chlorophenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.105833354 u
Formula C20H22Cl2N2O2
InChI InChI=1S/C20H22Cl2N2O2/c1-14-12-17(22)6-7-19(14)26-15(2)20(25)24-10-8-23(9-11-24)18-5-3-4-16(21)13-18/h3-7,12-13,15H,8-11H2,1-2H3
InChIKey DWTKYCQVOMTDED-UHFFFAOYSA-N
Molecular Weight 393.314 g/mol
SMILES C(N1CCN(C2=CC(Cl)=CC=C2)CC1)(C(OC1=C(C=C(C=C1)Cl)C)C)=O