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4-[[4-(4-METHOXY-2-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID LwuHrlhHUY7
InChI InChI=1S/C18H17N3O3/c1-12-9-15(24-2)7-8-16(12)17-11-21(20-19-17)10-13-3-5-14(6-4-13)18(22)23/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKey LGZDMPRHZLDKBE-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AavIDRbRjbM
Name 4-[[4-(4-METHOXY-2-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-12-9-15(24-2)7-8-16(12)17-11-21(20-19-17)10-13-3-5-14(6-4-13)18(22)23/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKey LGZDMPRHZLDKBE-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 323.351 g/mol
Solvent DMSO-D6
Source File Reference UWIR10777