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2-N(4'-[2.2]Paracyclophanyl)amino-3,5,6-trichloro-1,4-benzoquinone
SpectraBase Compound ID 41kaXlYanxw
InChI InChI=1S/C22H16Cl3NO2/c23-17-18(24)22(28)20(19(25)21(17)27)26-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,26H,5-7,9H2
InChIKey SCZPQUVSEIEBPL-UHFFFAOYSA-N
Mol Weight 432.73 g/mol
Molecular Formula C22H16Cl3NO2
Exact Mass 431.024662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIuS2ImMMie
Name 2-N(4'-[2.2]Paracyclophanyl)amino-3,5,6-trichloro-1,4-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16Cl3NO2
InChI InChI=1S/C22H16Cl3NO2/c23-17-18(24)22(28)20(19(25)21(17)27)26-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,26H,5-7,9H2
InChIKey SCZPQUVSEIEBPL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400050
Molecular Weight 432.734 g/mol
SMILES N(C1=C(C(C(=C(C1=O)Cl)Cl)=O)Cl)c1c2ccc(c1)CCc1ccc(cc1)CC2
SPLASH splash10-005c-0298600000-8662bb42646f6c8ff3de
Source of Spectrum QA-51-324-8
Synonyms 2-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-ylamino)-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione
Wiley ID 1795899