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2-N(4'-[2.2]Paracyclophanyl)amino-3-chloro-1,4-naphthoquinone
SpectraBase Compound ID 3fG8KdqNoQr
InChI InChI=1S/C26H20ClNO2/c27-23-24(26(30)21-4-2-1-3-20(21)25(23)29)28-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,28H,9-11,13H2
InChIKey ZBWROSWJBYTYQT-UHFFFAOYSA-N
Mol Weight 413.9 g/mol
Molecular Formula C26H20ClNO2
Exact Mass 413.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Deip9x4HJLx
Name 2-N(4'-[2.2]Paracyclophanyl)amino-3-chloro-1,4-naphthoquinone
Alternate Name(s) 2-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-ylamino)-3-chloronaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClNO2
InChI InChI=1S/C26H20ClNO2/c27-23-24(26(30)21-4-2-1-3-20(21)25(23)29)28-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,28H,9-11,13H2
InChIKey ZBWROSWJBYTYQT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400050
Molecular Weight 413.904 g/mol
SMILES N(C1=C(C(c2c(C1=O)cccc2)=O)Cl)c1c2ccc(c1)CCc1ccc(cc1)CC2
SPLASH splash10-00di-0393300000-08a1fbba39b5b3918855
Source of Spectrum QA-51-325-9
Wiley ID 1795900