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1-(4-bromophenyl)-5-methyltriazole-4-carboxylic acid
SpectraBase Compound ID MLse8JA9GS
InChI InChI=1S/C10H8BrN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)
InChIKey FPTYOFQUENAVEO-UHFFFAOYSA-N
Mol Weight 282.1 g/mol
Molecular Formula C10H8BrN3O2
Exact Mass 280.97999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2Y1RQ2N2py
Name 1-(4-bromophenyl)-5-methyltriazole-4-carboxylic acid
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8BrN3O2
InChI InChI=1S/C10H8BrN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)
InChIKey FPTYOFQUENAVEO-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 282.096 g/mol
Solvent DMSO-D6
Source File Reference UWRU1143