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3-Cyano-6-acetyl-2-ethoxy-7-methyl-4-phenyl-1,8-naphthyridine
SpectraBase Compound ID CPYGoN1q9QH
InChI InChI=1S/C20H17N3O2/c1-4-25-20-17(11-21)18(14-8-6-5-7-9-14)16-10-15(13(3)24)12(2)22-19(16)23-20/h5-10H,4H2,1-3H3
InChIKey GBQQUPKIGUAQKE-UHFFFAOYSA-N
Mol Weight 331.38 g/mol
Molecular Formula C20H17N3O2
Exact Mass 331.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUO3B9IeYMH
Name 3-Cyano-6-acetyl-2-ethoxy-7-methyl-4-phenyl-1,8-naphthyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.132076797 u
Formula C20H17N3O2
InChI InChI=1S/C20H17N3O2/c1-4-25-20-17(11-21)18(14-8-6-5-7-9-14)16-10-15(13(3)24)12(2)22-19(16)23-20/h5-10H,4H2,1-3H3
InChIKey GBQQUPKIGUAQKE-UHFFFAOYSA-N
Molecular Weight 331.375 g/mol
SMILES C=12N=C(OCC)C(=C(C2=CC(=C(N1)C)C(=O)C)C1=CC=CC=C1)C#N