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2,4-DIAMINO-8-(DIMETHYLAMINO)-5-((4-FLUOROPHENYL)-THIO)-5H-CHROMENO-[2,3-B]-PYRIDINE-3-CARBONITRILE
SpectraBase Compound ID f7MkdULCdp
InChI InChI=1S/C21H18FN5OS/c1-27(2)12-5-8-14-16(9-12)28-21-17(18(24)15(10-23)20(25)26-21)19(14)29-13-6-3-11(22)4-7-13/h3-9,19H,1-2H3,(H4,24,25,26)
InChIKey IAHVJTUNKBZRKH-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C21H18FN5OS
Exact Mass 407.12161 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iXfvFJpvJS
Name 2,4-DIAMINO-8-(DIMETHYLAMINO)-5-((4-FLUOROPHENYL)-THIO)-5H-CHROMENO-[2,3-B]-PYRIDINE-3-CARBONITRILE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18FN5OS
InChI InChI=1S/C21H18FN5OS/c1-27(2)12-5-8-14-16(9-12)28-21-17(18(24)15(10-23)20(25)26-21)19(14)29-13-6-3-11(22)4-7-13/h3-9,19H,1-2H3,(H4,24,25,26)
InChIKey IAHVJTUNKBZRKH-UHFFFAOYSA-N
Literature Reference Author S.BANERJEE,J.WANG,S.PFEFFER,D.MA,L.M.PFEFFER,S.A.PATIL,W.LI, D.D.MILLER
Literature Reference Citation MOLECULES,20,17152(2015)
Literature Reference DOI 10.3390/molecules200917152
Solvent DMSO-D6
Source File Reference UWPA5316