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2-[4-(4-Hydroxycinnamoyl)amino]-3-piperidino-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

2-[4-(4-Hydroxycinnamoyl)amino]-3-piperidino-1,4-naphthoquinone
SpectraBase Compound ID BLBH1BsjAy3
InChI InChI=1S/C30H26N2O4/c33-23-15-8-20(9-16-23)10-17-26(34)21-11-13-22(14-12-21)31-27-28(32-18-4-1-5-19-32)30(36)25-7-3-2-6-24(25)29(27)35/h2-3,6-17,31,33H,1,4-5,18-19H2/b17-10+
InChIKey XJOPTGLQFWIKGR-LICLKQGHSA-N
Mol Weight 478.55 g/mol
Molecular Formula C30H26N2O4
Exact Mass 478.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuiFHivYqRF
Name 2-[4-(4-Hydroxycinnamoyl)amino]-3-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 478.189257321 u
Formula C30H26N2O4
InChI InChI=1S/C30H26N2O4/c33-23-15-8-20(9-16-23)10-17-26(34)21-11-13-22(14-12-21)31-27-28(32-18-4-1-5-19-32)30(36)25-7-3-2-6-24(25)29(27)35/h2-3,6-17,31,33H,1,4-5,18-19H2/b17-10+
InChIKey XJOPTGLQFWIKGR-LICLKQGHSA-N
Molecular Weight 478.548 g/mol
SMILES C1=CC=C2C(=C1)C(C(=C(C2=O)NC1=CC=C(C=C1)C(\C=C\C1=CC=C(O)C=C1)=O)N1CCCCC1)=O