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3-keto-2-phenyl-isoquinoline-4-carbonitrile
SpectraBase Compound ID JXIi0HK9Kwf
InChI InChI=1S/C16H10N2O/c17-10-15-14-9-5-4-6-12(14)11-18(16(15)19)13-7-2-1-3-8-13/h1-9,11H
InChIKey CMILWLIWEPIIGK-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C16H10N2O
Exact Mass 246.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qozA4HM7aZ
Name 3-keto-2-phenyl-isoquinoline-4-carbonitrile
Alternate Name(s) 3-Oxidanylidene-2-phenyl-isoquinoline-4-carbonitrile 3-Oxo-2-phenyl-4-isoquinolinecarbonitrile 3-Oxo-2-phenyl-isoquinoline-4-carbonitrile
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Formula C16H10N2O
InChI InChI=1S/C16H10N2O/c17-10-15-14-9-5-4-6-12(14)11-18(16(15)19)13-7-2-1-3-8-13/h1-9,11H
InChIKey CMILWLIWEPIIGK-UHFFFAOYSA-N
Molecular Weight 246.269 g/mol
SMILES C=1(C(N(c2ccccc2)C=C2C1C=CC=C2)=O)C#N
SPLASH splash10-00kf-8090000000-fa558c64388656690acb
Source of Spectrum J-59-6118-4
Wiley ID 1249366