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4-(3-ketoindan-1-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(3-ketoindan-1-yl)benzonitrile
SpectraBase Compound ID 356iiL8vbXl
InChI InChI=1S/C16H11NO/c17-10-11-5-7-12(8-6-11)15-9-16(18)14-4-2-1-3-13(14)15/h1-8,15H,9H2
InChIKey YYRKMLRNPVRRQK-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C16H11NO
Exact Mass 233.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ywYTJPGSP2
Name 4-(3-ketoindan-1-yl)benzonitrile
Alternate Name(s) 4-(3-oxidanylidene-1,2-dihydroinden-1-yl)benzenecarbonitrile 4-(3-oxo-1,2-dihydroinden-1-yl)benzonitrile 4-(3-oxoindan-1-yl)benzonitrile
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Formula C16H11NO
InChI InChI=1S/C16H11NO/c17-10-11-5-7-12(8-6-11)15-9-16(18)14-4-2-1-3-13(14)15/h1-8,15H,9H2
InChIKey YYRKMLRNPVRRQK-UHFFFAOYSA-N
Molecular Weight 233.270 g/mol
SMILES C1(CC(c2ccccc12)c1ccc(cc1)C#N)=O
SPLASH splash10-001i-0190000000-d33e1f4043f65d8b5b57
Source of Spectrum D1-2003-1517-8
Wiley ID 1548348