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4-[[4-(4-FLUORO-3-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID H3gQaNpcSUy
InChI InChI=1S/C17H14FN3O2/c1-11-8-14(6-7-15(11)18)16-10-21(20-19-16)9-12-2-4-13(5-3-12)17(22)23/h2-8,10H,9H2,1H3,(H,22,23)
InChIKey KQYGBPVFSVECKL-UHFFFAOYSA-N
Mol Weight 311.32 g/mol
Molecular Formula C17H14FN3O2
Exact Mass 311.107005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTZaQArMtbY
Name 4-[[4-(4-FLUORO-3-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14FN3O2
InChI InChI=1S/C17H14FN3O2/c1-11-8-14(6-7-15(11)18)16-10-21(20-19-16)9-12-2-4-13(5-3-12)17(22)23/h2-8,10H,9H2,1H3,(H,22,23)
InChIKey KQYGBPVFSVECKL-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 311.315 g/mol
Solvent DMSO-D6
Source File Reference UWIR10778