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2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinone
SpectraBase Compound ID EwNLIJ2nWmp
InChI InChI=1S/C18H17N3O2/c22-17-11-16(18(23)15-4-2-1-3-14(15)17)21-10-9-20-12-13-5-7-19-8-6-13/h1-8,11,20-21H,9-10,12H2
InChIKey ORWPAVVGEQOCJK-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C18H17N3O2
Exact Mass 307.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTvK4QS60iq
Name 2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 307.132076797 u
Formula C18H17N3O2
InChI InChI=1S/C18H17N3O2/c22-17-11-16(18(23)15-4-2-1-3-14(15)17)21-10-9-20-12-13-5-7-19-8-6-13/h1-8,11,20-21H,9-10,12H2
InChIKey ORWPAVVGEQOCJK-UHFFFAOYSA-N
Molecular Weight 307.353 g/mol
SMILES C1(=CC(C=2C(C1=O)=CC=CC2)=O)NCCNCC1=CC=NC=C1