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6-Amino-3-(4-chlorophenyl)-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID EKW9478XLzK
InChI InChI=1S/C19H12ClFN4O/c20-12-5-1-11(2-6-12)17-16-15(10-3-7-13(21)8-4-10)14(9-22)18(23)26-19(16)25-24-17/h1-8,15H,23H2,(H,24,25)
InChIKey GLVWONVZUSNYRN-UHFFFAOYSA-N
Mol Weight 366.78 g/mol
Molecular Formula C19H12ClFN4O
Exact Mass 366.068367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5W03rY23mf
Name 6-Amino-3-(4-chlorophenyl)-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 366.068366884 u
Formula C19H12ClFN4O
InChI InChI=1S/C19H12ClFN4O/c20-12-5-1-11(2-6-12)17-16-15(10-3-7-13(21)8-4-10)14(9-22)18(23)26-19(16)25-24-17/h1-8,15H,23H2,(H,24,25)
InChIKey GLVWONVZUSNYRN-UHFFFAOYSA-N
Molecular Weight 366.783 g/mol
SMILES C12=C(OC(=C(C2C=2C=CC(=CC2)F)C#N)N)NN=C1C1=CC=C(C=C1)Cl