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2-(2-fluorobenzoyl)-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID MooVeJjeF5
InChI InChI=1S/C17H11FN2O/c18-15-8-4-3-7-14(15)17(21)20-10-9-12-5-1-2-6-13(12)16(20)11-19/h1-10,16H
InChIKey FASNABDNAHAYDM-UHFFFAOYSA-N
Mol Weight 278.29 g/mol
Molecular Formula C17H11FN2O
Exact Mass 278.085541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Dii0ayoINQ
Name 2-(2-fluorobenzoyl)-1H-isoquinoline-1-carbonitrile
Alternate Name(s) 2-(2-fluorophenyl)carbonyl-1H-isoquinoline-1-carbonitrile 2-[(2-fluorophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile Isoquinoline-1-carbonitrile, 2-(2-fluorobenzoyl)-1,2-dihydro-
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Formula C17H11FN2O
InChI InChI=1S/C17H11FN2O/c18-15-8-4-3-7-14(15)17(21)20-10-9-12-5-1-2-6-13(12)16(20)11-19/h1-10,16H
InChIKey FASNABDNAHAYDM-UHFFFAOYSA-N
Molecular Weight 278.286 g/mol
SMILES c1ccc(C(N2C(c3ccccc3C=C2)C#N)=O)c(F)c1
SPLASH splash10-00fr-5900000000-59940b886834c56721ae
Wiley ID 1436594