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N-(4-chloro-2-fluorophenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID FJEWcrIDLKd
InChI InChI=1S/C17H15ClFN3O2/c1-10-7-11(2)22(21-10)9-13-4-6-16(24-13)17(23)20-15-5-3-12(18)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKey CWAIBKJFJDEKSR-UHFFFAOYSA-N
Mol Weight 347.78 g/mol
Molecular Formula C17H15ClFN3O2
Exact Mass 347.083683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Sp1sCw8JKG
Name N-(4-Chloro-2-fluorophenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 347.083682596 u
Formula C17H15ClFN3O2
InChI InChI=1S/C17H15ClFN3O2/c1-10-7-11(2)22(21-10)9-13-4-6-16(24-13)17(23)20-15-5-3-12(18)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKey CWAIBKJFJDEKSR-UHFFFAOYSA-N
Molecular Weight 347.777 g/mol
SMILES N(C=1C(=CC(Cl)=CC1)F)C(C=1OC(CN2N=C(C)C=C2C)=CC1)=O