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[CU-SYM-[5.5.5]-TRIAZACYCLOPHANE]BF4.H2O

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[CU-SYM-[5.5.5]-TRIAZACYCLOPHANE]BF4.H2O
SpectraBase Compound ID 2fTioVY6DtQ
InChI InChI=1S/C24H33N3.BF4.Cu/c1-7-25-8-2-22-16-23-5-11-26-9-3-20-13-19(1)14-21(15-20)4-10-27-12-6-24(17-22)18-23;2-1(3,4)5;/h13-18,25-27H,1-12H2;;/q;-1;+1
InChIKey NMTLBRWONAEBNR-UHFFFAOYSA-N
Mol Weight 513.9 g/mol
Molecular Formula C24H33BCuF4N3
Exact Mass 513.199963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID He9NR8iWQtj
Name [CU-SYM-[5.5.5]-TRIAZACYCLOPHANE]BF4.H2O
Compound Number [C U1A]BF4.H2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H33BCuF4N3
InChI InChI=1S/C24H33N3.BF4.Cu/c1-7-25-8-2-22-16-23-5-11-26-9-3-20-13-19(1)14-21(15-20)4-10-27-12-6-24(17-22)18-23;2-1(3,4)5;/h13-18,25-27H,1-12H2;;/q;-1;+1
InChIKey NMTLBRWONAEBNR-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 513.896 g/mol
Solvent ACETONE-D6