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N-[1H-1,2,4-TRIAZOL-3(5)-YL-METHYL]-PYRIDINIUM-CHLORIDE

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N-[1H-1,2,4-TRIAZOL-3(5)-YL-METHYL]-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID B5GRtmZjSMP
InChI InChI=1S/C8H9N4.ClH/c1-2-4-12(5-3-1)6-8-9-7-10-11-8;/h1-5,7H,6H2,(H,9,10,11);1H/q+1;/p-1
InChIKey XPHQPXDLHBRSRE-UHFFFAOYSA-M
Mol Weight 196.64 g/mol
Molecular Formula C8H9ClN4
Exact Mass 196.051574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYcI45LSwHH
Name N-[1H-1,2,4-TRIAZOL-3(5)-YL-METHYL]-PYRIDINIUM-CHLORIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9ClN4
InChI InChI=1S/C8H9N4.ClH/c1-2-4-12(5-3-1)6-8-9-7-10-11-8;/h1-5,7H,6H2,(H,9,10,11);1H/q+1;/p-1
InChIKey XPHQPXDLHBRSRE-UHFFFAOYSA-M
Literature Reference Author E.ALCALDE,L.PEREZ-GARCIA,C.MIRAVITLLES,J.RIUS,E.VALENTI
Literature Reference Citation J.ORG.CHEM.,57,4829(1992)
Literature Reference DOI 10.1021/jo00044a014
Molecular Weight 196.639 g/mol
Solvent DMSO-D6
Source File Reference UWCS13725