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GRKGPRVKUQAYIM-UHFFFAOYSA-N
SpectraBase Compound ID KTpD1eMOv8K
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Mol Weight 331.2 g/mol
Molecular Formula C13H5N3O8
Exact Mass 331.007664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lu6ZeSygqn
Name 2,4,7-TRINITROXANTHONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H5N3O8
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Literature Reference Author W.IBROM,A.W.FRAHM
Literature Reference Citation MAGN.RES.CHEM.,34,937(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199611)34:11<937::aid-omr984>3.0.co;2-#
Molecular Weight 331.198 g/mol
Solvent DMSO-D6
Source File Reference UWCP465