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2-(1-CYANOETHYL)-3-METHYL-ISOQUINOLINIUM-TRIFLATE

View entire compound with spectra: 1 NMR

2-(1-CYANOETHYL)-3-METHYL-ISOQUINOLINIUM-TRIFLATE
SpectraBase Compound ID CmQDHFrYfd6
InChI InChI=1S/C13H13N2.CHF3O3S/c1-10-7-12-5-3-4-6-13(12)9-15(10)11(2)8-14;2-1(3,4)8(5,6)7/h3-7,9,11H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey TULWMQYAXHVNNZ-UHFFFAOYSA-M
Mol Weight 346.32 g/mol
Molecular Formula C14H13F3N2O3S
Exact Mass 346.059898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HT7IE4pr5IW
Name 2-(1-CYANOETHYL)-3-METHYL-ISOQUINOLINIUM-TRIFLATE
Compound Number 9
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13F3N2O3S
InChI InChI=1S/C13H13N2.CHF3O3S/c1-10-7-12-5-3-4-6-13(12)9-15(10)11(2)8-14;2-1(3,4)8(5,6)7/h3-7,9,11H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey TULWMQYAXHVNNZ-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 346.324 g/mol
Solvent DMSO-D6
Source File Reference UWIR18975