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2-N(4'-[2.2]Paracyclophanyl)amino-3-cyano-1,4-naphthoquinone
SpectraBase Compound ID 4FAVji7PZDP
InChI InChI=1S/C27H20N2O2/c28-16-23-25(27(31)22-4-2-1-3-21(22)26(23)30)29-24-15-19-10-9-17-5-7-18(8-6-17)11-13-20(24)14-12-19/h1-8,12,14-15,29H,9-11,13H2
InChIKey OHIUDOZIFCDLPW-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 IR4y1GJCoKW
Name 2-N(4'-[2.2]Paracyclophanyl)amino-3-cyano-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N2O2
InChI InChI=1S/C27H20N2O2/c28-16-23-25(27(31)22-4-2-1-3-21(22)26(23)30)29-24-15-19-10-9-17-5-7-18(8-6-17)11-13-20(24)14-12-19/h1-8,12,14-15,29H,9-11,13H2
InChIKey OHIUDOZIFCDLPW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400050
Molecular Weight 404.469 g/mol
SMILES N(C1=C(C(c2c(C1=O)cccc2)=O)C#N)c1c2ccc(c1)CCc1ccc(cc1)CC2
SPLASH splash10-0uk9-0492600000-27fbc339cf3f5ecf85b8
Source of Spectrum QA-51-324-2
Synonyms 3-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-ylamino)-1,4-dioxo-1,4-dihydronaphthalene-2-carbonitrile
Wiley ID 1795896