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benzamide, N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-fluoro-
SpectraBase Compound ID FglsCagnPtt
InChI InChI=1S/C18H14FN5O/c1-11-10-16(22-17(25)12-6-8-13(19)9-7-12)24(23-11)18-20-14-4-2-3-5-15(14)21-18/h2-10H,1H3,(H,20,21)(H,22,25)
InChIKey BWFLLHCPTIXADE-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C18H14FN5O
Exact Mass 335.118238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhCjO2IdNjd
Name Benzamide, N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-fluoro-
Comments Computed using HOSE algorithm
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Exact Mass 335.118238253 u
Formula C18H14FN5O
InChI InChI=1S/C18H14FN5O/c1-11-10-16(22-17(25)12-6-8-13(19)9-7-12)24(23-11)18-20-14-4-2-3-5-15(14)21-18/h2-10H,1H3,(H,20,21)(H,22,25)
InChIKey BWFLLHCPTIXADE-UHFFFAOYSA-N
Molecular Weight 335.342 g/mol
SMILES N(C=1N(C2=NC3=CC=CC=C3N2)N=C(C1)C)C(C1=CC=C(C=C1)F)=O