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3-[(4-Cyanophenyl)methyl]benzofuran-2(3H)-one
SpectraBase Compound ID GAaeHahKIGM
InChI InChI=1S/C16H11NO2/c17-10-12-7-5-11(6-8-12)9-14-13-3-1-2-4-15(13)19-16(14)18/h1-8,14H,9H2
InChIKey OOCYFCPDWYZMMZ-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C16H11NO2
Exact Mass 249.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LzNqLe9bM
Name 3-[(4-Cyanophenyl)methyl]benzofuran-2(3H)-one
Alternate Name(s) 4-[(2-oxo-2,3-dihydro-1-benzofuran-3-yl)methyl]benzonitrile 4-[(2-oxo-3H-1-benzofuran-3-yl)methyl]benzonitrile 4-[(2-oxo-3H-benzofuran-3-yl)methyl]benzonitrile 4-[(2-oxidanylidene-3H-1-benzofuran-3-yl)methyl]benzenecarbonitrile
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Formula C16H11NO2
InChI InChI=1S/C16H11NO2/c17-10-12-7-5-11(6-8-12)9-14-13-3-1-2-4-15(13)19-16(14)18/h1-8,14H,9H2
InChIKey OOCYFCPDWYZMMZ-UHFFFAOYSA-N
Molecular Weight 249.269 g/mol
SMILES C1(Oc2ccccc2C1Cc1ccc(C#N)cc1)=O
SPLASH splash10-015a-1960000000-74c5244ee38854eb6454
Source of Spectrum KC-0-481-2
Wiley ID 824177