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TRI-N-METHYL-SYM-[5.5.5]-TRIAZACYCLOPHANE
SpectraBase Compound ID 4M8H76Mnfny
InChI InChI=1S/C27H39N3/c1-28-10-4-22-16-24-6-12-29(2)13-7-25-17-23(5-11-28)19-27(21-25)9-15-30(3)14-8-26(18-22)20-24/h16-21H,4-15H2,1-3H3
InChIKey RVRBBFCHTYXAOL-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H39N3
Exact Mass 405.314398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIqftE0xpDw
Name TRI-N-METHYL-SYM-[5.5.5]-TRIAZACYCLOPHANE
Compound Number 1 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N3
InChI InChI=1S/C27H39N3/c1-28-10-4-22-16-24-6-12-29(2)13-7-25-17-23(5-11-28)19-27(21-25)9-15-30(3)14-8-26(18-22)20-24/h16-21H,4-15H2,1-3H3
InChIKey RVRBBFCHTYXAOL-UHFFFAOYSA-N
Literature Reference Author J.HANSEN,A.J.BLAKE,W.S.LI,M.MASCAL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3371(1998)
Literature Reference DOI 10.1039/a805646c
Molecular Weight 405.627 g/mol
Solvent CDCl3
Source File Reference UWKP2247