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2-[4-(4-Methoxycinnamoyl)anilino]-3-piperidino-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

2-[4-(4-Methoxycinnamoyl)anilino]-3-piperidino-1,4-naphthoquinone
SpectraBase Compound ID 4sGJ9ygrSUJ
InChI InChI=1S/C31H28N2O4/c1-37-24-16-9-21(10-17-24)11-18-27(34)22-12-14-23(15-13-22)32-28-29(33-19-5-2-6-20-33)31(36)26-8-4-3-7-25(26)30(28)35/h3-4,7-18,32H,2,5-6,19-20H2,1H3/b18-11+
InChIKey JWHIUFRLYSOMKP-WOJGMQOQSA-N
Mol Weight 492.58 g/mol
Molecular Formula C31H28N2O4
Exact Mass 492.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGQrbJDu9b7
Name 2-[4-(4-Methoxycinnamoyl)anilino]-3-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.204907386 u
Formula C31H28N2O4
InChI InChI=1S/C31H28N2O4/c1-37-24-16-9-21(10-17-24)11-18-27(34)22-12-14-23(15-13-22)32-28-29(33-19-5-2-6-20-33)31(36)26-8-4-3-7-25(26)30(28)35/h3-4,7-18,32H,2,5-6,19-20H2,1H3/b18-11+
InChIKey JWHIUFRLYSOMKP-WOJGMQOQSA-N
Molecular Weight 492.575 g/mol
SMILES C12=C(C(C(=C(C2=O)N2CCCCC2)NC2=CC=C(C(\C=C\C3=CC=C(C=C3)OC)=O)C=C2)=O)C=CC=C1