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6-Amino-3-(4-fluorophenyl)-4-furan-2-yl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
SpectraBase Compound ID F4VAWffdtC0
InChI InChI=1S/C17H11FN4O2/c18-10-5-3-9(4-6-10)15-14-13(12-2-1-7-23-12)11(8-19)16(20)24-17(14)22-21-15/h1-7,13H,20H2,(H,21,22)
InChIKey ACRBRWAWWYIADB-UHFFFAOYSA-N
Mol Weight 322.3 g/mol
Molecular Formula C17H11FN4O2
Exact Mass 322.086604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UKcSU2NQ83
Name 6-Amino-3-(4-fluorophenyl)-4-furan-2-yl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 322.086603771 u
Formula C17H11FN4O2
InChI InChI=1S/C17H11FN4O2/c18-10-5-3-9(4-6-10)15-14-13(12-2-1-7-23-12)11(8-19)16(20)24-17(14)22-21-15/h1-7,13H,20H2,(H,21,22)
InChIKey ACRBRWAWWYIADB-UHFFFAOYSA-N
Molecular Weight 322.299 g/mol
SMILES C12=C(OC(=C(C2C=2OC=CC2)C#N)N)NN=C1C=1C=CC(=CC1)F