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1-(3,5-Dinitrobenzoyl)-4-(o-methoxyphenyl)piperazine

View entire compound with spectra: 2 NMR, and 1 FTIR

1-(3,5-Dinitrobenzoyl)-4-(o-methoxyphenyl)piperazine
SpectraBase Compound ID JoRNc4B1q3Y
InChI InChI=1S/C18H18N4O6/c1-28-17-5-3-2-4-16(17)19-6-8-20(9-7-19)18(23)13-10-14(21(24)25)12-15(11-13)22(26)27/h2-5,10-12H,6-9H2,1H3
InChIKey AMCMWLWEIAYZRI-UHFFFAOYSA-N
Mol Weight 386.36 g/mol
Molecular Formula C18H18N4O6
Exact Mass 386.122634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FGn11UNWfI
Name 1-(3,5-Dinitrobenzoyl)-4-(o-methoxyphenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 386.122634310 u
Formula C18H18N4O6
InChI InChI=1S/C18H18N4O6/c1-28-17-5-3-2-4-16(17)19-6-8-20(9-7-19)18(23)13-10-14(21(24)25)12-15(11-13)22(26)27/h2-5,10-12H,6-9H2,1H3
InChIKey AMCMWLWEIAYZRI-UHFFFAOYSA-N
Molecular Weight 386.364 g/mol
SMILES N(=O)(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)N1CCN(CC1)C=1C=CC=CC1OC