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exo-[3,6-Dicyano-4-(p-cyanophenyl)-9,10-dihydrophenanthreno)-2':3',9:10-norbornane
SpectraBase Compound ID JdAHSgADqtI
InChI InChI=1S/C28H19N3/c29-13-16-1-4-18(5-2-16)25-21(15-31)8-10-23-27-20-7-6-19(12-20)26(27)22-9-3-17(14-30)11-24(22)28(23)25/h1-5,8-11,19-20,26-27H,6-7,12H2/t19-,20+,26?,27?/m1/s1
InChIKey SOPMKTBEMPIUKO-OUUGIMOJSA-N
Mol Weight 397.48 g/mol
Molecular Formula C28H19N3
Exact Mass 397.157898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd4VYhopvGa
Name exo-[3,6-Dicyano-4-(p-cyanophenyl)-9,10-dihydrophenanthreno)-2':3',9:10-norbornane
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Formula C28H19N3
InChI InChI=1S/C28H19N3/c29-13-16-1-4-18(5-2-16)25-21(15-31)8-10-23-27-20-7-6-19(12-20)26(27)22-9-3-17(14-30)11-24(22)28(23)25/h1-5,8-11,19-20,26-27H,6-7,12H2/t19-,20+,26?,27?/m1/s1
InChIKey SOPMKTBEMPIUKO-OUUGIMOJSA-N
Molecular Weight 397.481 g/mol
SMILES c1-2c(C3[C@@]4(C[C@](C3c3c2cc(C#N)cc3)(CC4)[H])[H])ccc(C#N)c1-c1ccc(C#N)cc1
SPLASH splash10-014i-9007000000-5ca84468dbfc992c4c5f
Source of Spectrum F-50-393-4
Synonyms 7-(4-cyanophenyl)pentacyclo[14.2.1.0(2,15).0(3,8).0(9,14)]nonadeca-3,5,7,9,11,13-hexaene-6,11-dicarbonitrile
Wiley ID 1368094