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2,2',4,4',6,6'-HEXANITRODIPHENYL-SULFIDE;DIPS
SpectraBase Compound ID A6kpGXjJ4xL
InChI InChI=1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
InChIKey XHJPTLWIOZRBQB-UHFFFAOYSA-N
Mol Weight 456.25 g/mol
Molecular Formula C12H4N6O12S
Exact Mass 455.960791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ENGODQqx7Q
Name 2,2',4,4',6,6'-HEXANITRODIPHENYL-SULFIDE;DIPS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H4N6O12S
InChI InChI=1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
InChIKey XHJPTLWIOZRBQB-UHFFFAOYSA-N
Literature Reference Author S.ZEMAN,M.KRUPKA
Literature Reference Citation PROP.EXPL.PYROT.,28,249(2003)
Literature Reference DOI 10.1002/prep.200300012
Molecular Weight 456.257 g/mol
Source File Reference UWLU75860