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2-(5-FLUORO-2-METHOXYPHENYL)-NICOTINIC_ACID

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2-(5-FLUORO-2-METHOXYPHENYL)-NICOTINIC_ACID
SpectraBase Compound ID I3fDLLcT2YB
InChI InChI=1S/C13H10FNO3/c1-18-11-5-4-8(14)7-10(11)12-9(13(16)17)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKey IPJQTNGUZLSTPZ-UHFFFAOYSA-N
Mol Weight 247.23 g/mol
Molecular Formula C13H10FNO3
Exact Mass 247.064471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfEtlTgr2G1
Name 2-(5-FLUORO-2-METHOXYPHENYL)-NICOTINIC_ACID
Compound Number 6Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10FNO3
InChI InChI=1S/C13H10FNO3/c1-18-11-5-4-8(14)7-10(11)12-9(13(16)17)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKey IPJQTNGUZLSTPZ-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 247.226 g/mol
Solvent CD3OD
Source File Reference UWMZ43501