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4-[[4-(3-FLUOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID IRsYhwFKY98
InChI InChI=1S/C16H12FN3O2/c17-14-3-1-2-13(8-14)15-10-20(19-18-15)9-11-4-6-12(7-5-11)16(21)22/h1-8,10H,9H2,(H,21,22)
InChIKey ZGJMJEKZDKXOBP-UHFFFAOYSA-N
Mol Weight 297.29 g/mol
Molecular Formula C16H12FN3O2
Exact Mass 297.091355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UbZTsz2eju
Name 4-[[4-(3-FLUOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12FN3O2
InChI InChI=1S/C16H12FN3O2/c17-14-3-1-2-13(8-14)15-10-20(19-18-15)9-11-4-6-12(7-5-11)16(21)22/h1-8,10H,9H2,(H,21,22)
InChIKey ZGJMJEKZDKXOBP-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 297.289 g/mol
Solvent DMSO-D6
Source File Reference UWIR10769