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4-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-METHYL]-BENZOIC-ACID
SpectraBase Compound ID 2tHgW7z7yWY
InChI InChI=1S/C16H13N3O2/c20-16(21)14-8-6-12(7-9-14)10-19-11-15(17-18-19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKey HCYXYSCYISPDDX-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SibRlIwfCH
Name 4-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-METHYL]-BENZOIC-ACID
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c20-16(21)14-8-6-12(7-9-14)10-19-11-15(17-18-19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKey HCYXYSCYISPDDX-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 279.298 g/mol
Solvent ACETONE-D6
Source File Reference UWIR10764