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2-(2-METHOXY-5-METHYLPHENYL)-NICOTINIC_ACID
SpectraBase Compound ID CUjzLrvFAuU
InChI InChI=1S/C14H13NO3/c1-9-5-6-12(18-2)11(8-9)13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChIKey AJWAOAXNDYAUDC-UHFFFAOYSA-N
Mol Weight 243.26 g/mol
Molecular Formula C14H13NO3
Exact Mass 243.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OlTrZbEGGU
Name 2-(2-METHOXY-5-METHYLPHENYL)-NICOTINIC_ACID
Compound Number 6R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NO3
InChI InChI=1S/C14H13NO3/c1-9-5-6-12(18-2)11(8-9)13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChIKey AJWAOAXNDYAUDC-UHFFFAOYSA-N
Literature Reference Author A.J.DEMUNER,L.C.A.BARBOSA,A.C.M.MIRANDA,G.C.GERALDO,C.M.DASI LVA,S.GIBERTI,M.BERT
Literature Reference Citation J.NAT.PROD.,76,2234(2013)
Literature Reference DOI 10.1021/np4005882
Molecular Weight 243.262 g/mol
Solvent CD3OD
Source File Reference UWMZ43502