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1,3-Dinitro-4,6-bis(trifluoroacetyl)hexahydroimidazo[4,5-d]imidazol-2(1H)-one
SpectraBase Compound ID 5MADSkgeo9k
InChI InChI=1S/C16H6F12N12O14/c17-13(18,19)5(41)29-1-31(7(43)15(23,24)25)11(3(29)33(37(47)48)9(45)35(11)39(51)52)12-4(34(38(49)50)10(46)36(12)40(53)54)30(6(42)14(20,21)22)2-32(12)8(44)16(26,27)28/h3-4H,1-2H2
InChIKey ABVKBQFXHUYGMF-UHFFFAOYSA-N
Mol Weight 818.27 g/mol
Molecular Formula C16H6F12N12O14
Exact Mass 817.993481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sbL8WVhN6q
Name 1,3-DINITRO-4,6-BIS-(TRIFLUOROACETYL)-HEXAHYDROIMIDAZO-[4,5-D]-IMIDAZOL-2-(1H)-ONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H6F12N12O14
InChI InChI=1S/C16H6F12N12O14/c17-13(18,19)5(41)29-1-31(7(43)15(23,24)25)11(3(29)33(37(47)48)9(45)35(11)39(51)52)12-4(34(38(49)50)10(46)36(12)40(53)54)30(6(42)14(20,21)22)2-32(12)8(44)16(26,27)28/h3-4H,1-2H2
InChIKey ABVKBQFXHUYGMF-UHFFFAOYSA-N
Literature Reference Author I.J.DAGLEY,J.L.FLIPPEN-ANDERSON
Literature Reference Citation AUSTR.J.CHEM.,47,2033(1994)
Literature Reference DOI 10.1071/ch9942033
Molecular Weight 818.276 g/mol
Solvent ACETONE-D6
Source File Reference UWVP6568