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2,4,6,8,10,12-HEXA-BENZYL-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE

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2,4,6,8,10,12-HEXA-BENZYL-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
SpectraBase Compound ID KR2cKaRHGFO
InChI InChI=1S/C48H48N6/c1-7-19-37(20-8-1)31-49-43-44-50(32-38-21-9-2-10-22-38)47(49)48-51(33-39-23-11-3-12-24-39)45(53(43)35-41-27-15-5-16-28-41)46(52(48)34-40-25-13-4-14-26-40)54(44)36-42-29-17-6-18-30-42/h1-30,43-48H,31-36H2/t43-,44+,45+,46-,47?,48?
InChIKey IUKZSMGVHPBEHK-OJDWKSSXSA-N
Mol Weight 709.0 g/mol
Molecular Formula C48H48N6
Exact Mass 708.394046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2N3126EmvQ
Name 2,4,6,8,10,12-HEXA-BENZYL-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Compound Number 3A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C48H48N6/c1-7-19-37(20-8-1)31-49-43-44-50(32-38-21-9-2-10-22-38)47(49)48-51(33-39-23-11-3-12-24-39)45(53(43)35-41-27-15-5-16-28-41)46(52(48)34-40-25-13-4-14-26-40)54(44)36-42-29-17-6-18-30-42/h1-30,43-48H,31-36H2/t43-,44+,45+,46-,47?,48?
InChIKey IUKZSMGVHPBEHK-OJDWKSSXSA-N
Literature Reference M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent Chloroform-d