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2-(4-fluorophenoxy)-N-(2-pyrimidinyl)acetamide
SpectraBase Compound ID BWNorHGl4h1
InChI InChI=1S/C12H10FN3O2/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKey RDLKDBVNWHDAKS-UHFFFAOYSA-N
Mol Weight 247.23 g/mol
Molecular Formula C12H10FN3O2
Exact Mass 247.075705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDnr2JtjbLf
Name 2-(4-Fluorophenoxy)-N-(2-pyrimidinyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 247.075704735 u
Formula C12H10FN3O2
InChI InChI=1S/C12H10FN3O2/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKey RDLKDBVNWHDAKS-UHFFFAOYSA-N
Molecular Weight 247.229 g/mol
SMILES N(C=1N=CC=CN1)C(=O)COC=1C=CC(=CC1)F