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4-(2'-Cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane
SpectraBase Compound ID JW2ZYSLnmrY
InChI InChI=1S/C27H20N2O2/c28-16-24(25-26(30)21-3-1-2-4-22(21)27(25)31)29-23-15-19-10-9-17-5-7-18(8-6-17)11-13-20(23)14-12-19/h1-8,12,14-15,29H,9-11,13H2
InChIKey AJBIBFQZYLKOGN-UHFFFAOYSA-N
Mol Weight 404.47 g/mol
Molecular Formula C27H20N2O2
Exact Mass 404.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhEhAW14H4
Name 4-(2'-Cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane
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Formula C27H20N2O2
InChI InChI=1S/C27H20N2O2/c28-16-24(25-26(30)21-3-1-2-4-22(21)27(25)31)29-23-15-19-10-9-17-5-7-18(8-6-17)11-13-20(23)14-12-19/h1-8,12,14-15,29H,9-11,13H2
InChIKey AJBIBFQZYLKOGN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400050
Molecular Weight 404.469 g/mol
SMILES N(C(=C1C(c2c(C1=O)cccc2)=O)C#N)c1c2ccc(c1)CCc1ccc(cc1)CC2
SPLASH splash10-0udi-1398800000-95fc8e84a66cb7a3d4b9
Source of Spectrum QA-51-324-5
Synonyms 2-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-ylamino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile
Wiley ID 1795898