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4,12-DIAZA-1,8-DIAZONIATRICYCLO-[6.6.3.2(4,12)]-NONADEC-1(15)-ENE-TETRABROMOZINCATE-MONOHYDRATE
SpectraBase Compound ID A02TNAZjCoS
InChI InChI=1S/C15H29N4.4BrH.H2O.Zn/c1-4-16-5-2-8-18-12-10-17(7-1)11-13-19(15-14-18)9-3-6-16;;;;;;/h7H,1-6,8-15H2;4*1H;1H2;/q+1;;;;;;+2/p-3
InChIKey ICONOHMVOZZWCT-UHFFFAOYSA-K
Mol Weight 669.45 g/mol
Molecular Formula C15H32Br4N4OZn
Exact Mass 663.860106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIOQrwd5Ggp
Name 4,12-DIAZA-1,8-DIAZONIATRICYCLO-[6.6.3.2(4,12)]-NONADEC-1(15)-ENE-TETRABROMOZINCATE-MONOHYDRATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H32Br4N4OZn
InChI InChI=1S/C15H29N4.4BrH.H2O.Zn/c1-4-16-5-2-8-18-12-10-17(7-1)11-13-19(15-14-18)9-3-6-16;;;;;;/h7H,1-6,8-15H2;4*1H;1H2;/q+1;;;;;;+2/p-3
InChIKey ICONOHMVOZZWCT-UHFFFAOYSA-K
Literature Reference Author J.SPRINGBORG,B.NIELSEN,C.E.OLSEN,I.SOTOFTE
Literature Reference Citation J.AM.CHEM.SOC.,124,5084(2002)
Literature Reference DOI 10.1021/ja0127638
Molecular Weight 669.441 g/mol
Sample ID 49177
Solvent H2O:D2O=9:1;PH=4.5