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1-Phenyl-3-(but-2'-enyl)2H-[1]-benzopyrano[2,3-b]pyridine-2,5(1H)-dione
SpectraBase Compound ID C6fPwxlzTJz
InChI InChI=1S/C22H17NO3/c1-2-3-9-15-14-18-20(24)17-12-7-8-13-19(17)26-22(18)23(21(15)25)16-10-5-4-6-11-16/h2-8,10-14H,9H2,1H3/b3-2+
InChIKey YAUMVELFTZJRNS-NSCUHMNNSA-N
Mol Weight 343.38 g/mol
Molecular Formula C22H17NO3
Exact Mass 343.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JW8M8BGrlm
Name 1-Phenyl-3-(but-2'-enyl)2H-[1]-benzopyrano[2,3-B]pyridine-2,5(1H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 343.120843408 u
Formula C22H17NO3
InChI InChI=1S/C22H17NO3/c1-2-3-9-15-14-18-20(24)17-12-7-8-13-19(17)26-22(18)23(21(15)25)16-10-5-4-6-11-16/h2-8,10-14H,9H2,1H3/b3-2+
InChIKey YAUMVELFTZJRNS-NSCUHMNNSA-N
Molecular Weight 343.382 g/mol
SMILES C12=C(C(=O)C=3C(O2)=CC=CC3)C=C(C(N1C=1C=CC=CC1)=O)C\C=C\C