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2-(3-BROMO-5-FLUORO-2-METHOXYPHENYL)-ISONICOTINIC_ACID
SpectraBase Compound ID 90CUIcefGTw
InChI InChI=1S/C13H9BrFNO3/c1-19-12-9(4-7(15)5-11(12)14)10-6-16-3-2-8(10)13(17)18/h2-6H,1H3,(H,17,18)
InChIKey GPUXSYUJTLKGCS-UHFFFAOYSA-N
Mol Weight 326.12 g/mol
Molecular Formula C13H9BrFNO3
Exact Mass 324.974984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aMILVroGNv
Name 2-(3-BROMO-5-FLUORO-2-METHOXYPHENYL)-ISONICOTINIC_ACID
Compound Number 6P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9BrFNO3
InChI InChI=1S/C13H9BrFNO3/c1-19-12-9(4-7(15)5-11(12)14)10-6-16-3-2-8(10)13(17)18/h2-6H,1H3,(H,17,18)
InChIKey GPUXSYUJTLKGCS-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 326.122 g/mol
Solvent CD3OD
Source File Reference UWMZ43500