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2,4,6,8,10,12-HEXA-(4'-CHLORO-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
SpectraBase Compound ID D4YGRKcd6jT
InChI InChI=1S/C48H42Cl6N6/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/t43-,44+,45+,46-,47-,48+
InChIKey NQBCQGPWLJOCNQ-YABNHVMSSA-N
Mol Weight 915.6 g/mol
Molecular Formula C48H42Cl6N6
Exact Mass 912.160212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrizyKUtOZM
Name 2,4,6,8,10,12-HEXA-(4'-CHLORO-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Compound Number 3C
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C48H42Cl6N6/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/t43-,44+,45+,46-,47-,48+
InChIKey NQBCQGPWLJOCNQ-YABNHVMSSA-N
Literature Reference M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent Chloroform-d