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3-(p-Cyanophenyl)-2-azatricyclo[7.4.0.1(4,8)]tetradeca-4,9(1),10,12-tetraene-14-one
SpectraBase Compound ID 4a4tXAVCASU
InChI InChI=1S/C20H16N2O/c21-12-13-8-10-14(11-9-13)19-17-6-3-5-16(20(17)23)15-4-1-2-7-18(15)22-19/h1-2,4,6-11,16,19,22H,3,5H2/t16-,19?/m1/s1
InChIKey WVTWISQPODWUJV-VTBWFHPJSA-N
Mol Weight 300.36 g/mol
Molecular Formula C20H16N2O
Exact Mass 300.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHarJLvAmWp
Name 3-(p-Cyanophenyl)-2-azatricyclo[7.4.0.1(4,8)]tetradeca-4,9(1),10,12-tetraene-14-one
Alternate Name(s) 4-(14-oxo-8-azatricyclo[8.3.1.0(2,7)]tetradeca-2,4,6,10-tetraen-9-yl)benzonitrile
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Formula C20H16N2O
InChI InChI=1S/C20H16N2O/c21-12-13-8-10-14(11-9-13)19-17-6-3-5-16(20(17)23)15-4-1-2-7-18(15)22-19/h1-2,4,6-11,16,19,22H,3,5H2/t16-,19?/m1/s1
InChIKey WVTWISQPODWUJV-VTBWFHPJSA-N
Molecular Weight 300.361 g/mol
SMILES N1c2ccccc2[C@@]2(C(C(C1c1ccc(C#N)cc1)=CCC2)=O)[H]
SPLASH splash10-0k9i-0794000000-9fecb4300311b0d59ce6
Source of Spectrum H1-51-553-4
Wiley ID 817079