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3-Amino-5-cyano-6-ethoxy-4-phenyl-2-[(N-phenylimino)methyl]thieno[2,3-b]pyridine
SpectraBase Compound ID EzKsq7mEsrc
InChI InChI=1S/C23H18N4OS/c1-2-28-22-17(13-24)19(15-9-5-3-6-10-15)20-21(25)18(29-23(20)27-22)14-26-16-11-7-4-8-12-16/h3-12,14H,2,25H2,1H3/b26-14+
InChIKey BVWKGUVJLSQPCL-VULFUBBASA-N
Mol Weight 398.48 g/mol
Molecular Formula C23H18N4OS
Exact Mass 398.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXSMwiTlFzg
Name 3-Amino-5-cyano-6-ethoxy-4-phenyl-2-[(N-phenylimino)methyl]thieno[2,3-B]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 398.120132389 u
Formula C23H18N4OS
InChI InChI=1S/C23H18N4OS/c1-2-28-22-17(13-24)19(15-9-5-3-6-10-15)20-21(25)18(29-23(20)27-22)14-26-16-11-7-4-8-12-16/h3-12,14H,2,25H2,1H3/b26-14+
InChIKey BVWKGUVJLSQPCL-VULFUBBASA-N
Molecular Weight 398.484 g/mol
SMILES C1=2C(=NC(=C(C2C=2C=CC=CC2)C#N)OCC)SC(=C1N)\C=N\C=1C=CC=CC1