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6-SELENOCAFFEINE
SpectraBase Compound ID BsjXNvUMcfs
InChI InChI=1S/C8H10N4OSe/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKey FRBLKEAMORXTKA-UHFFFAOYSA-N
Mol Weight 257.17 g/mol
Molecular Formula C8H10N4OSe
Exact Mass 258.001983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9T8uKMu6VAw
Name 6-SELENOCAFFEINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10N4OSe
InChI InChI=1S/C8H10N4OSe/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKey FRBLKEAMORXTKA-UHFFFAOYSA-N
Literature Reference Author I.L.MARTINS,J.P.MIRANDA,N.G.OLIVEIRA,A.S.FERNANDES,S.GONCALV ES,A.M.M.ANTUNES
Literature Reference Citation MOLECULES,18,5251(2013)
Literature Reference DOI 10.3390/molecules18055251
Molecular Weight 257.154 g/mol
Solvent DMSO-D6
Source File Reference UWBT9209