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1-[[1-(4-IODOBENZYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL]-5-METHYL-PYRIMIDINE-2,4-(1H,3H)-DIONE
SpectraBase Compound ID BGQJj56UI59
InChI InChI=1S/C15H14IN5O2/c1-10-6-20(15(23)17-14(10)22)8-13-9-21(19-18-13)7-11-2-4-12(16)5-3-11/h2-6,9H,7-8H2,1H3,(H,17,22,23)
InChIKey RNWMNDCKMTWOFH-UHFFFAOYSA-N
Mol Weight 423.21 g/mol
Molecular Formula C15H14IN5O2
Exact Mass 423.01922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DCSEVqWKBD
Name 1-[[1-(4-IODOBENZYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL]-5-METHYL-PYRIMIDINE-2,4-(1H,3H)-DIONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14IN5O2
InChI InChI=1S/C15H14IN5O2/c1-10-6-20(15(23)17-14(10)22)8-13-9-21(19-18-13)7-11-2-4-12(16)5-3-11/h2-6,9H,7-8H2,1H3,(H,17,22,23)
InChIKey RNWMNDCKMTWOFH-UHFFFAOYSA-N
Literature Reference Author R.GONZALEZ-OLVERA,A.ESPINOZA-VAZQUEZ,G.E.NEGRON-SILVA,M.E.PA LOMAR-PARDAVE
Literature Reference Citation MOLECULES,18,15064(2013)
Literature Reference DOI 10.3390/molecules181215064
Molecular Weight 423.213 g/mol
Solvent DMSO-D6
Source File Reference UWIR9946