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2-(4-Cinnamoylanilino)-3-piperidino-1,4-naphthoquinone
SpectraBase Compound ID FVi957W2SAw
InChI InChI=1S/C30H26N2O3/c33-26(18-13-21-9-3-1-4-10-21)22-14-16-23(17-15-22)31-27-28(32-19-7-2-8-20-32)30(35)25-12-6-5-11-24(25)29(27)34/h1,3-6,9-18,31H,2,7-8,19-20H2/b18-13+
InChIKey KGVBDWCVWNUBLS-QGOAFFKASA-N
Mol Weight 462.55 g/mol
Molecular Formula C30H26N2O3
Exact Mass 462.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHBFRSaAXzX
Name 2-(4-Cinnamoylanilino)-3-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 462.194342702 u
Formula C30H26N2O3
InChI InChI=1S/C30H26N2O3/c33-26(18-13-21-9-3-1-4-10-21)22-14-16-23(17-15-22)31-27-28(32-19-7-2-8-20-32)30(35)25-12-6-5-11-24(25)29(27)34/h1,3-6,9-18,31H,2,7-8,19-20H2/b18-13+
InChIKey KGVBDWCVWNUBLS-QGOAFFKASA-N
Molecular Weight 462.549 g/mol
SMILES C1=CC=C2C(=C1)C(C(=C(C2=O)NC1=CC=C(C=C1)C(\C=C\C1=CC=CC=C1)=O)N1CCCCC1)=O