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(1,10-DIAZABICYCLO-[8.6.6]-DOCOSA-5,13,19-TRIYNE)-COPPER-(I)-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 8XmQM7CZ0G7
InChI InChI=1S/C20H28N2.CHF3O3S.Cu/c1-2-4-10-16-22-19-13-7-5-11-17-21(15-9-3-1)18-12-6-8-14-20-22;2-1(3,4)8(5,6)7;/h3-4,9-20H2;(H,5,6,7);/q;;+1/p-1
InChIKey NDBOYXICKWDMCI-UHFFFAOYSA-M
Mol Weight 509.07 g/mol
Molecular Formula C21H28CuF3N2O3S
Exact Mass 508.10687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XbyI3tTtra
Name (1,10-DIAZABICYCLO-[8.6.6]-DOCOSA-5,13,19-TRIYNE)-COPPER-(I)-TRIFLUOROMETHANESULFONATE
Compound Number [9.CU]-[C F3SO3]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28CuF3N2O3S
InChI InChI=1S/C20H28N2.CHF3O3S.Cu/c1-2-4-10-16-22-19-13-7-5-11-17-21(15-9-3-1)18-12-6-8-14-20-22;2-1(3,4)8(5,6)7;/h3-4,9-20H2;(H,5,6,7);/q;;+1/p-1
InChIKey NDBOYXICKWDMCI-UHFFFAOYSA-M
Literature Reference Author A.KUNZE,S.BALALAIE,R.GLEITER,F.ROMINGER
Literature Reference Citation EUR.J.ORG.CHEM.,2942(2006)
Molecular Weight 509.066 g/mol
Sample ID 44045
Solvent CD2Cl2