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1-(1-CYANOPROPYL)-3-(ETHOXYCARBONYL)-2-METHYL-PYRIDINIUM-TRIFLATE
SpectraBase Compound ID 1HUKMML2mES
InChI InChI=1S/C13H17N2O2.CHF3O3S/c1-4-11(9-14)15-8-6-7-12(10(15)3)13(16)17-5-2;2-1(3,4)8(5,6)7/h6-8,11H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey UIBOSIAJOBTUSF-UHFFFAOYSA-M
Mol Weight 382.35 g/mol
Molecular Formula C14H17F3N2O5S
Exact Mass 382.081027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGiVBuUpX5B
Name 1-(1-CYANOPROPYL)-3-(ETHOXYCARBONYL)-2-METHYL-PYRIDINIUM-TRIFLATE
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17F3N2O5S
InChI InChI=1S/C13H17N2O2.CHF3O3S/c1-4-11(9-14)15-8-6-7-12(10(15)3)13(16)17-5-2;2-1(3,4)8(5,6)7/h6-8,11H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey UIBOSIAJOBTUSF-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 382.355 g/mol
Solvent DMSO-D6
Source File Reference UWIR18971