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N-METHYL-4-(2-THIENYL)-PYRIDINIUM_TRIFLATE

View entire compound with spectra: 2 NMR

N-METHYL-4-(2-THIENYL)-PYRIDINIUM_TRIFLATE
SpectraBase Compound ID 3Hlt8zaHfod
InChI InChI=1S/C10H10NS.CHF3O3S/c1-11-6-4-9(5-7-11)10-3-2-8-12-10;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey SQTIYIVNQVOBNL-UHFFFAOYSA-M
Mol Weight 325.32 g/mol
Molecular Formula C11H10F3NO3S2
Exact Mass 325.00542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qUPwfiNFgZ
Name N-METHYL-4-(2-THIENYL)-PYRIDINIUM_TRIFLATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F3NO3S2
InChI InChI=1S/C10H10NS.CHF3O3S/c1-11-6-4-9(5-7-11)10-3-2-8-12-10;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey SQTIYIVNQVOBNL-UHFFFAOYSA-M
Literature Reference Author A.ABBOTTO,S.BRADAMANTE,A.FACCHETTI,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,62,5755(1997)
Literature Reference DOI 10.1021/jo970059x
Molecular Weight 325.321 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4379