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4-[[4-[4-(DIMETHYLAMINO)-PHENYL]-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
SpectraBase Compound ID 54UGpdeCFB9
InChI InChI=1S/C18H18N4O2/c1-21(2)16-9-7-14(8-10-16)17-12-22(20-19-17)11-13-3-5-15(6-4-13)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKey YULAIMFRAJYULN-UHFFFAOYSA-N
Mol Weight 322.37 g/mol
Molecular Formula C18H18N4O2
Exact Mass 322.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6njnGT0oMAN
Name 4-[[4-[4-(DIMETHYLAMINO)-PHENYL]-1H-1,2,3-TRIAZOL-1-YL]-METHYL]-BENZOIC-ACID
Compound Number 11M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4O2
InChI InChI=1S/C18H18N4O2/c1-21(2)16-9-7-14(8-10-16)17-12-22(20-19-17)11-13-3-5-15(6-4-13)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKey YULAIMFRAJYULN-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 322.367 g/mol
Solvent DMSO-D6
Source File Reference UWIR10774