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3-Cyano-2-ethoxy-6-ethoxycarbonyl-7-[2-(2-ethylphenylamino)vinyl]-4-phenyl-1,8-naphthyridine
SpectraBase Compound ID AEoa7Jmc5C5
InChI InChI=1S/C30H28N4O3/c1-4-20-12-10-11-15-25(20)32-17-16-26-22(30(35)37-6-3)18-23-27(21-13-8-7-9-14-21)24(19-31)29(36-5-2)34-28(23)33-26/h7-18,32H,4-6H2,1-3H3/b17-16-
InChIKey MNOBUFKGBSIOMG-MSUUIHNZSA-N
Mol Weight 492.58 g/mol
Molecular Formula C30H28N4O3
Exact Mass 492.216141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAid93BWh2h
Name 3-Cyano-2-ethoxy-6-ethoxycarbonyl-7-[2-(2-ethylphenylamino)vinyl]-4-phenyl-1,8-naphthyridine
Comments Computed using HOSE algorithm
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Exact Mass 492.216140775 u
Formula C30H28N4O3
InChI InChI=1S/C30H28N4O3/c1-4-20-12-10-11-15-25(20)32-17-16-26-22(30(35)37-6-3)18-23-27(21-13-8-7-9-14-21)24(19-31)29(36-5-2)34-28(23)33-26/h7-18,32H,4-6H2,1-3H3/b17-16-
InChIKey MNOBUFKGBSIOMG-MSUUIHNZSA-N
Molecular Weight 492.579 g/mol
SMILES C12=NC(OCC)=C(C(=C2C=C(C(=N1)\C=C/NC1=C(CC)C=CC=C1)C(=O)OCC)C1=CC=CC=C1)C#N