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4-[[4-(6-METHOXY-NAPHTHALEN-2-YL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID LPz9BRHxQua
InChI InChI=1S/C21H17N3O3/c1-27-19-9-8-16-10-18(7-6-17(16)11-19)20-13-24(23-22-20)12-14-2-4-15(5-3-14)21(25)26/h2-11,13H,12H2,1H3,(H,25,26)
InChIKey ULGAKJJEUHCBDA-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C21H17N3O3
Exact Mass 359.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaWZiYAAw09
Name 4-[[4-(6-METHOXY-NAPHTHALEN-2-YL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N3O3
InChI InChI=1S/C21H17N3O3/c1-27-19-9-8-16-10-18(7-6-17(16)11-19)20-13-24(23-22-20)12-14-2-4-15(5-3-14)21(25)26/h2-11,13H,12H2,1H3,(H,25,26)
InChIKey ULGAKJJEUHCBDA-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 359.384 g/mol
Solvent DMSO-D6
Source File Reference UWIR10780