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1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-quinone

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1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-quinone
SpectraBase Compound ID CbukVPYUfCm
InChI InChI=1S/C8H7F3N4O2/c1-14-4-3(5(16)15(2)7(14)17)12-6(13-4)8(9,10)11/h1-2H3,(H,12,13)
InChIKey XCONVVMFMNKACC-UHFFFAOYSA-N
Mol Weight 248.17 g/mol
Molecular Formula C8H7F3N4O2
Exact Mass 248.05211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Fg7owVPiNC
Name 1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7F3N4O2
InChI InChI=1S/C8H7F3N4O2/c1-14-4-3(5(16)15(2)7(14)17)12-6(13-4)8(9,10)11/h1-2H3,(H,12,13)
InChIKey XCONVVMFMNKACC-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 248.164 g/mol
Source File Reference MHKO20103