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2,4,6,8,10,12-Hexa(4-fluorobenzyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane
SpectraBase Compound ID 8iRN5Gch0KO
InChI InChI=1S/C48H42F6N6/c49-37-13-1-31(2-14-37)25-55-43-45-56(26-32-3-15-38(50)16-4-32)46-44(55)58(28-34-7-19-40(52)20-8-34)48(60(46)30-36-11-23-42(54)24-12-36)47(57(43)27-33-5-17-39(51)18-6-33)59(45)29-35-9-21-41(53)22-10-35/h1-24,43-48H,25-30H2
InChIKey NZXNEXGBKJZEBI-UHFFFAOYSA-N
Mol Weight 816.9 g/mol
Molecular Formula C48H42F6N6
Exact Mass 816.337514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fkv6oOwSqQT
Name 2,4,6,8,10,12-Hexa(4-fluorobenzyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane
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Formula C48H42F6N6
InChI InChI=1S/C48H42F6N6/c49-37-13-1-31(2-14-37)25-55-43-45-56(26-32-3-15-38(50)16-4-32)46-44(55)58(28-34-7-19-40(52)20-8-34)48(60(46)30-36-11-23-42(54)24-12-36)47(57(43)27-33-5-17-39(51)18-6-33)59(45)29-35-9-21-41(53)22-10-35/h1-24,43-48H,25-30H2
InChIKey NZXNEXGBKJZEBI-UHFFFAOYSA-N
Molecular Weight 816.896 g/mol
SMILES C12N(C3N(C4N(C2N(C4N(C3N1Cc1ccc(cc1)F)Cc1ccc(cc1)F)Cc1ccc(cc1)F)Cc1ccc(cc1)F)Cc1ccc(cc1)F)Cc1ccc(cc1)F
SPLASH splash10-0a4i-0900001610-688d5b427392612a78fa
Source of Spectrum QF-9-693-2
Synonyms 2,4,6,8,10,12-hexakis[(4-fluorophenyl)methyl]-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(3,11).0(5,9)]dodecane
Wiley ID 1558230