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1,1'-Bi-1H-imidazole, 2,2',4,4',5,5'-hexakis(4-chlorophenyl)-
SpectraBase Compound ID BQLxnRHAd2m
InChI InChI=1S/C42H24Cl6N4/c43-31-13-1-25(2-14-31)37-39(27-5-17-33(45)18-6-27)51(41(49-37)29-9-21-35(47)22-10-29)52-40(28-7-19-34(46)20-8-28)38(26-3-15-32(44)16-4-26)50-42(52)30-11-23-36(48)24-12-30/h1-24H
InChIKey XBKYRLLZSQYQPQ-UHFFFAOYSA-N
Mol Weight 797.4 g/mol
Molecular Formula C42H24Cl6N4
Exact Mass 794.013213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39enVUCiCKI
Name 1,1'-Bi-1H-imidazole, 2,2',4,4',5,5'-hexakis(4-chlorophenyl)-
Alternate Name(s) 1,1'-Biimidazole, 2,2',4,4',5,5'-hexakis(p-chlorophenyl)- 2,2',4,4',5,5'-Hexakis(4-chlorophenyl)-1,1'-biimidzolyl 2,4,5-tris(4-chlorophenyl)-1-[2,4,5-tris(4-chlorophenyl)-1H-imidazol-1-yl]-1H-imidazole
CAS Registry Number 1787-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H24Cl6N4
InChI InChI=1S/C42H24Cl6N4/c43-31-13-1-25(2-14-31)37-39(27-5-17-33(45)18-6-27)51(41(49-37)29-9-21-35(47)22-10-29)52-40(28-7-19-34(46)20-8-28)38(26-3-15-32(44)16-4-26)50-42(52)30-11-23-36(48)24-12-30/h1-24H
InChIKey XBKYRLLZSQYQPQ-UHFFFAOYSA-N
Molecular Weight 797.400 g/mol
SMILES c1([n](-[n]2c(c(-c3ccc(cc3)Cl)nc2-c2ccc(cc2)Cl)-c2ccc(cc2)Cl)c(nc1-c1ccc(cc1)Cl)-c1ccc(cc1)Cl)-c1ccc(cc1)Cl
SPLASH splash10-006x-0900000400-ffe2845f45df0c200556
Source of Spectrum K-111-1469-0
Wiley ID 1417077