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7-allyl-1,3-dimethyl-8-vinyl-xanthine

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7-allyl-1,3-dimethyl-8-vinyl-xanthine
SpectraBase Compound ID 5DTFmTwXD9O
InChI InChI=1S/C12H14N4O2/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3/h5-6H,1-2,7H2,3-4H3
InChIKey GMUMKYVSWRJVHS-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C12H14N4O2
Exact Mass 246.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bzfzzt64zLZ
Name 7-allyl-1,3-dimethyl-8-vinyl-xanthine
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4O2
InChI InChI=1S/C12H14N4O2/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3/h5-6H,1-2,7H2,3-4H3
InChIKey GMUMKYVSWRJVHS-UHFFFAOYSA-N
Literature Reference Author E.NEMCEKOVA,A.RYBAR,G.NOSALOVA,J.ALFOELDI
Literature Reference Citation MH.CHEM.,126,799(1995)
Literature Reference DOI 10.1007/BF00807173
Molecular Weight 246.269 g/mol
Solvent CDCl3
Source File Reference UWGN53