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2-(2,4-DIAMINO-3-CYANO-8-METHOXY-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE

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2-(2,4-DIAMINO-3-CYANO-8-METHOXY-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE
SpectraBase Compound ID 60IzuuYq08R
InChI InChI=1S/C17H12N6O2/c1-24-11-4-2-3-9-12(8(5-18)6-19)13-14(21)10(7-20)16(22)23-17(13)25-15(9)11/h2-4,8,12H,1H3,(H4,21,22,23)
InChIKey CXPQORHYXFXJCC-UHFFFAOYSA-N
Mol Weight 332.32 g/mol
Molecular Formula C17H12N6O2
Exact Mass 332.102174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FD5FA76B5aa
Name 2-(2,4-DIAMINO-3-CYANO-8-METHOXY-[5H]-BENZOPYRANO-[2,3-B]-PYRIDIN-5-YL)-PROPANE-1,3-DINITRILE
Compound Number 3B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H12N6O2/c1-24-11-4-2-3-9-12(8(5-18)6-19)13-14(21)10(7-20)16(22)23-17(13)25-15(9)11/h2-4,8,12H,1H3,(H4,21,22,23)
InChIKey CXPQORHYXFXJCC-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