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3,5,12-TRIS-[2-(IMIDAZOL-4-YL)-ETHYL]-1,7,9-TRIMETHYL-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE
SpectraBase Compound ID 4TOw1A7wYYk
InChI InChI=1S/C27H39N9/c1-25-13-26(2)15-27(3,14-25)24-35(8-5-20-11-29-17-32-20)22(25)34(7-4-19-10-28-16-31-19)23(26)36(24)9-6-21-12-30-18-33-21/h10-12,16-18,22-24H,4-9,13-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKey AVSZSSQWRZGTDF-UHFFFAOYSA-N
Mol Weight 489.7 g/mol
Molecular Formula C27H39N9
Exact Mass 489.332842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XQhf43Z26t
Name 3,5,12-TRIS-[2-(IMIDAZOL-4-YL)-ETHYL]-1,7,9-TRIMETHYL-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N9
InChI InChI=1S/C27H39N9/c1-25-13-26(2)15-27(3,14-25)24-35(8-5-20-11-29-17-32-20)22(25)34(7-4-19-10-28-16-31-19)23(26)36(24)9-6-21-12-30-18-33-21/h10-12,16-18,22-24H,4-9,13-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKey AVSZSSQWRZGTDF-UHFFFAOYSA-N
Literature Reference Author H.IZUMI,S.FUTAMURA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1925(1998)
Literature Reference DOI 10.1039/a801930d
Molecular Weight 489.667 g/mol
Solvent CDCl3