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3,6-DINITROBENZENE-1,2-DIOIC-ACID

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3,6-DINITROBENZENE-1,2-DIOIC-ACID
SpectraBase Compound ID BVmyE5mizxm
InChI InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey MZDSOZBFTCRKNT-UHFFFAOYSA-N
Mol Weight 256.13 g/mol
Molecular Formula C8H4N2O8
Exact Mass 255.996765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iyD3yAJdr
Name 3,6-DINITROBENZENE-1,2-DIOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H4N2O8
InChI InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey MZDSOZBFTCRKNT-UHFFFAOYSA-N
Literature Reference Author M.HAVLIK,V.KRAL,B.DOLENSKY
Literature Reference Citation ORG.LETTERS,8,4867(2006)
Literature Reference DOI 10.1021/ol061913m
Molecular Weight 256.128 g/mol
Sample ID 60790
Solvent DMSO-D6