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3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)-METHYL]-5-(2-FLUOROETHYL)-4-METHYLTHIAZOLIUM-BROMIDE;HYDROBROMIDE
SpectraBase Compound ID JmN6VNyPIIT
InChI InChI=1S/C12H18FN4S.BrH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;/h7,10H,3-6H2,1-2H3,(H2,14,15,16);1H/q+1;/p-1
InChIKey URASYQHIFVZGJA-UHFFFAOYSA-M
Mol Weight 349.27 g/mol
Molecular Formula C12H18BrFN4S
Exact Mass 348.041959 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xeXNfncVVQ
Name 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)-METHYL]-5-(2-FLUOROETHYL)-4-METHYLTHIAZOLIUM-BROMIDE;HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18BrFN4S
InChI InChI=1S/C12H18FN4S.BrH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;/h7,10H,3-6H2,1-2H3,(H2,14,15,16);1H/q+1;/p-1
InChIKey URASYQHIFVZGJA-UHFFFAOYSA-M
Literature Reference Author G.LOWE,B.V.L.POTTER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2026(1980)
Literature Reference DOI 10.1039/p19800002026
Solvent D2O
Source File Reference UWPS834