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3,5,12-TRIS-(4-METHOXYBENZYL)-1,7,9-TRIMETHYL-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE
SpectraBase Compound ID 99Ls5gD16i0
InChI InChI=1S/C36H45N3O3/c1-34-22-35(2)24-36(3,23-34)33-38(20-26-9-15-29(41-5)16-10-26)31(34)37(19-25-7-13-28(40-4)14-8-25)32(35)39(33)21-27-11-17-30(42-6)18-12-27/h7-18,31-33H,19-24H2,1-6H3/t31-,32+,33-,34+,35-,36+
InChIKey UTLHTHIDZFCQLP-NQYWDKCXSA-N
Mol Weight 567.8 g/mol
Molecular Formula C36H45N3O3
Exact Mass 567.346092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rKrQ0aQ44
Name 3,5,12-TRIS-(4-METHOXYBENZYL)-1,7,9-TRIMETHYL-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H45N3O3
InChI InChI=1S/C36H45N3O3/c1-34-22-35(2)24-36(3,23-34)33-38(20-26-9-15-29(41-5)16-10-26)31(34)37(19-25-7-13-28(40-4)14-8-25)32(35)39(33)21-27-11-17-30(42-6)18-12-27/h7-18,31-33H,19-24H2,1-6H3/t31-,32+,33-,34+,35-,36+
InChIKey UTLHTHIDZFCQLP-NQYWDKCXSA-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 567.772 g/mol
Solvent CDCl3