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2,2'-(TRIMETHYLENEDIOXY)-BIS-[4,6-BIS-(TRINITROMETHYL)]-1,3,5-TRIAZINE

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2,2'-(TRIMETHYLENEDIOXY)-BIS-[4,6-BIS-(TRINITROMETHYL)]-1,3,5-TRIAZINE
SpectraBase Compound ID HHqsNt7CaFX
InChI InChI=1S/C13H6N18O26/c32-20(33)10(21(34)35,22(36)37)4-14-5(11(23(38)39,24(40)41)25(42)43)17-8(16-4)56-2-1-3-57-9-18-6(12(26(44)45,27(46)47)28(48)49)15-7(19-9)13(29(50)51,30(52)53)31(54)55/h1-3H2
InChIKey GDVQHYXRBAKHQY-UHFFFAOYSA-N
Mol Weight 830.29 g/mol
Molecular Formula C13H6N18O26
Exact Mass 829.970062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLcpAHk2Lj2
Name 2,2'-(TRIMETHYLENEDIOXY)-BIS-[4,6-BIS-(TRINITROMETHYL)]-1,3,5-TRIAZINE
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H6N18O26
InChI InChI=1S/C13H6N18O26/c32-20(33)10(21(34)35,22(36)37)4-14-5(11(23(38)39,24(40)41)25(42)43)17-8(16-4)56-2-1-3-57-9-18-6(12(26(44)45,27(46)47)28(48)49)15-7(19-9)13(29(50)51,30(52)53)31(54)55/h1-3H2
InChIKey GDVQHYXRBAKHQY-UHFFFAOYSA-N
Literature Reference Author A.V.SHASTIN,T.I.GODOVIKOVA,S.P.GOLOVA,L.I.KHMELNITSKII,B.L.K ORSUNSKII
Literature Reference Citation CHEM.HET.COMP.,31,596(1995)
Literature Reference DOI 10.1007/bf01166337
Molecular Weight 830.296 g/mol
Solvent CD2Cl2
Source File Reference UWMZ13543