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2-Methyl(phenyl)amino-3-piperidino-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

2-Methyl(phenyl)amino-3-piperidino-1,4-naphthoquinone
SpectraBase Compound ID 1v7IUydbowV
InChI InChI=1S/C22H22N2O2/c1-23(16-10-4-2-5-11-16)19-20(24-14-8-3-9-15-24)22(26)18-13-7-6-12-17(18)21(19)25/h2,4-7,10-13H,3,8-9,14-15H2,1H3
InChIKey GBYLGUKGHHCSMR-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuWVwPXahy9
Name 2-Methyl(phenyl)amino-3-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 346.168127954 u
Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-23(16-10-4-2-5-11-16)19-20(24-14-8-3-9-15-24)22(26)18-13-7-6-12-17(18)21(19)25/h2,4-7,10-13H,3,8-9,14-15H2,1H3
InChIKey GBYLGUKGHHCSMR-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES C12=C(C(C(=C(C2=O)N2CCCCC2)N(C)C2=CC=CC=C2)=O)C=CC=C1