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5-methyl-1-(4-methylphenyl)triazole-4-carboxylic acid
SpectraBase Compound ID LAGx0vQE6sZ
InChI InChI=1S/C11H11N3O2/c1-7-3-5-9(6-4-7)14-8(2)10(11(15)16)12-13-14/h3-6H,1-2H3,(H,15,16)
InChIKey NREIBQOWBHBDHC-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C11H11N3O2
Exact Mass 217.085127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaYDNa1zigI
Name 5-methyl-1-(4-methylphenyl)triazole-4-carboxylic acid
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11N3O2
InChI InChI=1S/C11H11N3O2/c1-7-3-5-9(6-4-7)14-8(2)10(11(15)16)12-13-14/h3-6H,1-2H3,(H,15,16)
InChIKey NREIBQOWBHBDHC-UHFFFAOYSA-N
Literature Reference Author X.W.SUN,P.F.XU,Z.Y.ZHANG
Literature Reference Citation MAGN.RES.CHEM.,36,459(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199806)36:6<459::aid-omr297>3.0.co;2-h
Molecular Weight 217.227 g/mol
Solvent DMSO-D6
Source File Reference UWRU1142