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ethyl 2-(5-cyano-2-fluorophenyl)nicotinate
SpectraBase Compound ID EErqSulDNyn
InChI InChI=1S/C15H11FN2O2/c1-2-20-15(19)11-4-3-7-18-14(11)12-8-10(9-17)5-6-13(12)16/h3-8H,2H2,1H3
InChIKey NMVJOKVKJWBSKB-UHFFFAOYSA-N
Mol Weight 270.26 g/mol
Molecular Formula C15H11FN2O2
Exact Mass 270.080456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RMYAQp7cMs
Name ethyl 2-(5-cyano-2-fluorophenyl)nicotinate
Appearance Pale yellow oil
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Exact Mass 270.080455763 u
Formula C15H11FN2O2
InChI InChI=1S/C15H11FN2O2/c1-2-20-15(19)11-4-3-7-18-14(11)12-8-10(9-17)5-6-13(12)16/h3-8H,2H2,1H3
InChIKey NMVJOKVKJWBSKB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605139
Molecular Weight 270.263 g/mol
Quality 587
Reported Formula C15H11FN2O2
SMILES C(C)OC(C=1C(=NC=CC1)C1=C(C=CC(=C1)C#N)F)=O
SPLASH splash10-00fv-1590000000-93858b0baa01673a4a88
Source of Spectrum QE-23-SM29-7d (DOI: 10.1002/chem.201605139)
Thin-Layer Chromatography 0.42 (SiO2, i-hexane/EtOAc, 7:3)
Wiley ID 1903816