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Pyrazolo[3,4-b]pyran-5-carbonitrile, 1,4-dihydro-6-amino-4-(4-fluorophenyl)-3-methyl-
SpectraBase Compound ID Ayw5Vb2LB9a
InChI InChI=1S/C14H11FN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)
InChIKey MIQATMAUOFDNCO-UHFFFAOYSA-N
Mol Weight 270.27 g/mol
Molecular Formula C14H11FN4O
Exact Mass 270.091689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75v9aIgL6Hz
Name Pyrazolo[3,4-B]pyran-5-carbonitrile, 1,4-dihydro-6-amino-4-(4-fluorophenyl)-3-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 270.091689152 u
Formula C14H11FN4O
InChI InChI=1S/C14H11FN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)
InChIKey MIQATMAUOFDNCO-UHFFFAOYSA-N
Molecular Weight 270.267 g/mol
SMILES C12=C(C(C(=C(O2)N)C#N)C=2C=CC(=CC2)F)C(C)=NN1