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1,4,10,13-TETRAOXA-7,16-DIAZONIUMCYCLO-OCTADECANE-BIS-(4-CHLORO-2-METHYL-PHENOXYACETATE)
SpectraBase Compound ID IhjoxGXvRQk
InChI InChI=1S/C12H26N2O4.2C9H9ClO3/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1;2*1-6-4-7(10)2-3-8(6)13-5-9(11)12/h13-14H,1-12H2;2*2-4H,5H2,1H3,(H,11,12)
InChIKey KQMKOCGMLOAGHX-UHFFFAOYSA-N
Mol Weight 663.59 g/mol
Molecular Formula C30H44Cl2N2O10
Exact Mass 662.237301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoW6xaYYboW
Name 1,4,10,13-TETRAOXA-7,16-DIAZONIUMCYCLO-OCTADECANE-BIS-(4-CHLORO-2-METHYL-PHENOXYACETATE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44Cl2N2O10
InChI InChI=1S/C12H26N2O4.2C9H9ClO3/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1;2*1-6-4-7(10)2-3-8(6)13-5-9(11)12/h13-14H,1-12H2;2*2-4H,5H2,1H3,(H,11,12)
InChIKey KQMKOCGMLOAGHX-UHFFFAOYSA-N
Literature Reference Author S.N.ADAMOVICH,A.N.MIRSKOVA,R.G.MIRSKOV,U.SCHILDE
Literature Reference Citation CHEM.CENTR.J.,5,23,1(2011)
Literature Reference DOI 10.1186/1752-153x-5-23
Molecular Weight 663.593 g/mol
Solvent D2O
Source File Reference UWIR11753