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2-(2,4-DIAMINO-3-CYANO-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE

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2-(2,4-DIAMINO-3-CYANO-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE
SpectraBase Compound ID EJErjfw5xko
InChI InChI=1S/C16H10N6O/c17-5-8(6-18)12-9-3-1-2-4-11(9)23-16-13(12)14(20)10(7-19)15(21)22-16/h1-4,8,12H,(H4,20,21,22)
InChIKey NZIXTYUXMDMQMG-UHFFFAOYSA-N
Mol Weight 302.3 g/mol
Molecular Formula C16H10N6O
Exact Mass 302.091609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRf7rNNxPJ2
Name 2-(2,4-DIAMINO-3-CYANO-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE
Compound Number 3A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H10N6O/c17-5-8(6-18)12-9-3-1-2-4-11(9)23-16-13(12)14(20)10(7-19)15(21)22-16/h1-4,8,12H,(H4,20,21,22)
InChIKey NZIXTYUXMDMQMG-UHFFFAOYSA-N
Literature Reference C.N.OCALLAGHAN,T.B.H.MCMURRY,J.E.OBRIEN J.CHEM.SOC.PERKIN-1,417(1995)
Solvent Dimethyl sulfoxide-d6