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1-(1-CYANOETHYL)-2-METHYL-PYRIMIDIN-1-IUM-TRIFLATE
SpectraBase Compound ID 9feTfXzuEZ0
InChI InChI=1S/C8H10N3.CHF3O3S/c1-7(6-9)11-5-3-4-10-8(11)2;2-1(3,4)8(5,6)7/h3-5,7H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey IWVGIYVVWWVWGY-UHFFFAOYSA-M
Mol Weight 297.25 g/mol
Molecular Formula C9H10F3N3O3S
Exact Mass 297.039497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RzFQUA1gK
Name 1-(1-CYANOETHYL)-2-METHYL-PYRIMIDIN-1-IUM-TRIFLATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10F3N3O3S
InChI InChI=1S/C8H10N3.CHF3O3S/c1-7(6-9)11-5-3-4-10-8(11)2;2-1(3,4)8(5,6)7/h3-5,7H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey IWVGIYVVWWVWGY-UHFFFAOYSA-M
Literature Reference Author M.KUCUKDISLI,T.OPATZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5836(2014)
Literature Reference DOI 10.1002/ejoc.201402618
Molecular Weight 297.252 g/mol
Solvent DMSO-D6
Source File Reference UWIR18973