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2-(isoquinolin-3-yl)benzonitrile
SpectraBase Compound ID 994WT56Ty5t
InChI InChI=1S/C16H10N2/c17-10-13-6-3-4-8-15(13)16-9-12-5-1-2-7-14(12)11-18-16/h1-9,11H
InChIKey TVVYSJAEYUKDNJ-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C16H10N2
Exact Mass 230.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGSteVjsoOT
Name 2-(isoquinolin-3-yl)benzonitrile
Alternate Name(s) 2-(3-Isoquinolinyl)benzonitrile 2-Isoquinolin-3-ylbenzonitrile 2-Isoquinolin-3-ylbenzenecarbonitrile
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Formula C16H10N2
InChI InChI=1S/C16H10N2/c17-10-13-6-3-4-8-15(13)16-9-12-5-1-2-7-14(12)11-18-16/h1-9,11H
InChIKey TVVYSJAEYUKDNJ-UHFFFAOYSA-N
Molecular Weight 230.270 g/mol
SMILES C(#N)c1ccccc1-c1cc2ccccc2cn1
SPLASH splash10-001i-2390000000-e048e802632f297cf906
Source of Spectrum JX-2015-0-867
Wiley ID 1720752