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2-[N-Acetyl-4-(4-chlorocynnamoyl)anilino]-4-piperidino-1,4-naphthoquinone

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2-[N-Acetyl-4-(4-chlorocynnamoyl)anilino]-4-piperidino-1,4-naphthoquinone
SpectraBase Compound ID Dq1kQIiffww
InChI InChI=1S/C32H27ClN2O4/c1-21(36)35(25-16-12-23(13-17-25)28(37)18-11-22-9-14-24(33)15-10-22)30-29(34-19-5-2-6-20-34)31(38)26-7-3-4-8-27(26)32(30)39/h3-4,7-18H,2,5-6,19-20H2,1H3/b18-11+
InChIKey NBILROZPJBZOBK-WOJGMQOQSA-N
Mol Weight 539.0 g/mol
Molecular Formula C32H27ClN2O4
Exact Mass 538.165935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GS5lkaMgrb
Name 2-[N-Acetyl-4-(4-chlorocynnamoyl)anilino]-4-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 538.165935053 u
Formula C32H27ClN2O4
InChI InChI=1S/C32H27ClN2O4/c1-21(36)35(25-16-12-23(13-17-25)28(37)18-11-22-9-14-24(33)15-10-22)30-29(34-19-5-2-6-20-34)31(38)26-7-3-4-8-27(26)32(30)39/h3-4,7-18H,2,5-6,19-20H2,1H3/b18-11+
InChIKey NBILROZPJBZOBK-WOJGMQOQSA-N
Molecular Weight 539.031 g/mol
SMILES C12=C(C(C(=C(C2=O)N2CCCCC2)N(C(=O)C)C2=CC=C(C=C2)C(\C=C\C2=CC=C(C=C2)Cl)=O)=O)C=CC=C1