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1-Pyridineacetamide, 3-cyano-N-(4-fluorophenyl)-1,2-dihydro-4,6-dimethyl-2-oxo-
SpectraBase Compound ID FN9zPMezhtE
InChI InChI=1S/C16H14FN3O2/c1-10-7-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKey RGPJWKQYJJFBJW-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 9fjFhXR8UAa
Name 1-Pyridineacetamide, 3-cyano-N-(4-fluorophenyl)-1,2-dihydro-4,6-dimethyl-2-oxo-
Comments Computed using HOSE algorithm
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Exact Mass 299.107004864 u
Formula C16H14FN3O2
InChI InChI=1S/C16H14FN3O2/c1-10-7-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKey RGPJWKQYJJFBJW-UHFFFAOYSA-N
Molecular Weight 299.305 g/mol
SMILES C=1C(=C(C#N)C(N(C1C)CC(NC=1C=CC(=CC1)F)=O)=O)C