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4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-OXADIAZOLE-1,5-DIOXIDE;4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-

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4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-OXADIAZOLE-1,5-DIOXIDE;4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-
SpectraBase Compound ID 6wkzlBAZo0M
InChI InChI=1S/2C6N4O6/c11-5-1-3(9(13)15-7-1)6(12)2-4(5)10(14)16-8-2;11-5-1-3(9(13)15-7-1)6(12)4-2(5)8-16-10(4)14
InChIKey YMWVXBUZZBAHMS-UHFFFAOYSA-N
Mol Weight 448.18 g/mol
Molecular Formula C12N8O12
Exact Mass 447.963567 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4bOcCKldMl
Name 4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-OXADIAZOLE-1,5-DIOXIDE;4,8-DIOXO-4-H,8-H-BENZO-[1.2-C:4.5-C']-BIS-[1.2.5]-
Compound Number IV-A_AND_IV- B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12N8O12
InChI InChI=1S/2C6N4O6/c11-5-1-3(9(13)15-7-1)6(12)2-4(5)10(14)16-8-2;11-5-1-3(9(13)15-7-1)6(12)4-2(5)8-16-10(4)14
InChIKey YMWVXBUZZBAHMS-UHFFFAOYSA-N
Literature Reference Author V.A.SAMSONOV,L.V.VOLODARSKII,G.K.KHISAMUTDINOV
Literature Reference Citation CHEM.HET.COMP.,33,471(1997)
Literature Reference DOI 10.1007/bf02321395
Molecular Weight 448.178 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14426