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4-[[4-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID 5JCrjmOokTr
InChI InChI=1S/C16H12BrN3O2/c17-14-7-5-12(6-8-14)15-10-20(19-18-15)9-11-1-3-13(4-2-11)16(21)22/h1-8,10H,9H2,(H,21,22)
InChIKey JJEDYVCOIJHXEW-UHFFFAOYSA-N
Mol Weight 358.2 g/mol
Molecular Formula C16H12BrN3O2
Exact Mass 357.01129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEDPygpGSos
Name 4-[[4-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12BrN3O2
InChI InChI=1S/C16H12BrN3O2/c17-14-7-5-12(6-8-14)15-10-20(19-18-15)9-11-1-3-13(4-2-11)16(21)22/h1-8,10H,9H2,(H,21,22)
InChIKey JJEDYVCOIJHXEW-UHFFFAOYSA-N
Literature Reference Author M.WROBEL,J.AUBE,B.KOENIG
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1027(2012)
Literature Reference DOI 10.3762/bjoc.8.115
Molecular Weight 358.194 g/mol
Solvent DMSO-D6
Source File Reference UWIR10772