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Furan-2-carboxylic acid, [2-(4-fluorobenzyl)-5-methyl-2H-pyrazol-3-yl]amide
SpectraBase Compound ID yucrIdXhlW
InChI InChI=1S/C16H14FN3O2/c1-11-9-15(18-16(21)14-3-2-8-22-14)20(19-11)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)
InChIKey NAJYKRSYNOEDCI-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C16H14FN3O2
Exact Mass 299.107005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsfmegPlDxK
Name Furan-2-carboxylic acid, [2-(4-fluorobenzyl)-5-methyl-2H-pyrazol-3-yl]amide
Comments Computed using HOSE algorithm
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Exact Mass 299.107004864 u
Formula C16H14FN3O2
InChI InChI=1S/C16H14FN3O2/c1-11-9-15(18-16(21)14-3-2-8-22-14)20(19-11)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)
InChIKey NAJYKRSYNOEDCI-UHFFFAOYSA-N
Molecular Weight 299.305 g/mol
SMILES C(C1=CC=C(C=C1)F)N1C(=CC(=N1)C)NC(=O)C1=CC=CO1