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4-[[4-(THIOPHEN-3-YL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID 4SiKcHBVlVG
InChI InChI=1S/C14H11N3O2S/c18-14(19)11-3-1-10(2-4-11)7-17-8-13(15-16-17)12-5-6-20-9-12/h1-6,8-9H,7H2,(H,18,19)
InChIKey OWAMPWSQSFBLKH-UHFFFAOYSA-N
Mol Weight 285.32 g/mol
Molecular Formula C14H11N3O2S
Exact Mass 285.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3o8iQOvvrXp
Name 4-[[4-(THIOPHEN-3-YL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3O2S
InChI InChI=1S/C14H11N3O2S/c18-14(19)11-3-1-10(2-4-11)7-17-8-13(15-16-17)12-5-6-20-9-12/h1-6,8-9H,7H2,(H,18,19)
InChIKey OWAMPWSQSFBLKH-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 285.320 g/mol
Solvent DMSO-D6
Source File Reference UWIR10779