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4-[4-(4-PENTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-BENZOIC-ACID
SpectraBase Compound ID 2Io9CMyB23K
InChI InChI=1S/C20H21N3O2/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)18-12-10-17(11-13-18)20(24)25/h6-14H,2-5H2,1H3,(H,24,25)
InChIKey JGZQTYICACGKPY-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 ImoW7gXVchO
Name 4-[4-(4-PENTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-BENZOIC-ACID
Compound Number 12J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O2
InChI InChI=1S/C20H21N3O2/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)18-12-10-17(11-13-18)20(24)25/h6-14H,2-5H2,1H3,(H,24,25)
InChIKey JGZQTYICACGKPY-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 DMSO-D6
Source File Reference UWIR10786