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2-Amino-3-(4-benzylpiperazino)-1,4-naphthoquinone

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

2-Amino-3-(4-benzylpiperazino)-1,4-naphthoquinone
SpectraBase Compound ID DOf1HVVq7N4
InChI InChI=1S/C21H21N3O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14,22H2
InChIKey JULYAQQDCUMKSG-UHFFFAOYSA-N
Mol Weight 347.42 g/mol
Molecular Formula C21H21N3O2
Exact Mass 347.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1NvUt7poxY
Name 2-Amino-3-(4-benzylpiperazino)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 347.163376926 u
Formula C21H21N3O2
InChI InChI=1S/C21H21N3O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14,22H2
InChIKey JULYAQQDCUMKSG-UHFFFAOYSA-N
Molecular Weight 347.418 g/mol
SMILES C1=CC=C2C(=C1)C(C(=C(C2=O)N)N1CCN(CC1)CC1=CC=CC=C1)=O