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3-Cyano-2-ethoxy-6-ethoxycarbonyl-7-[2-(phenylamino)vinyl]-4-phenyl-1,8-naphthyridine
SpectraBase Compound ID 870qqm3mg3Q
InChI InChI=1S/C28H24N4O3/c1-3-34-27-23(18-29)25(19-11-7-5-8-12-19)22-17-21(28(33)35-4-2)24(31-26(22)32-27)15-16-30-20-13-9-6-10-14-20/h5-17,30H,3-4H2,1-2H3/b16-15-
InChIKey VKITXYALHBBQHF-NXVVXOECSA-N
Mol Weight 464.53 g/mol
Molecular Formula C28H24N4O3
Exact Mass 464.184841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7wZ5VziP5B
Name 3-Cyano-2-ethoxy-6-ethoxycarbonyl-7-[2-(phenylamino)vinyl]-4-phenyl-1,8-naphthyridine
Comments Computed using HOSE algorithm
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Exact Mass 464.184840646 u
Formula C28H24N4O3
InChI InChI=1S/C28H24N4O3/c1-3-34-27-23(18-29)25(19-11-7-5-8-12-19)22-17-21(28(33)35-4-2)24(31-26(22)32-27)15-16-30-20-13-9-6-10-14-20/h5-17,30H,3-4H2,1-2H3/b16-15-
InChIKey VKITXYALHBBQHF-NXVVXOECSA-N
Molecular Weight 464.525 g/mol
SMILES C12=NC(OCC)=C(C(=C2C=C(C(=N1)\C=C/NC1=CC=CC=C1)C(=O)OCC)C1=CC=CC=C1)C#N