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4-[[4-(4-TERT.-BUTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID BtRKbSPCnHa
InChI InChI=1S/C20H21N3O2/c1-20(2,3)17-10-8-15(9-11-17)18-13-23(22-21-18)12-14-4-6-16(7-5-14)19(24)25/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKey ZNUHEYTXCZIRLY-UHFFFAOYSA-N
Mol Weight 335.41 g/mol
Molecular Formula C20H21N3O2
Exact Mass 335.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6k4i6VxYEe3
Name 4-[[4-(4-TERT.-BUTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O2
InChI InChI=1S/C20H21N3O2/c1-20(2,3)17-10-8-15(9-11-17)18-13-23(22-21-18)12-14-4-6-16(7-5-14)19(24)25/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKey ZNUHEYTXCZIRLY-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 335.406 g/mol
Solvent CDCl3
Source File Reference UWIR10775