John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=90w0D12TiRP SpectraBase Spectrum ID=27nCPzJ56mU

(accessed ).
3-(5-FLUORO-2-METHOXYPHENYL)-ISONICOTINIC_ACID
SpectraBase Compound ID 90w0D12TiRP
InChI InChI=1S/C13H10FNO3/c1-18-12-3-2-8(14)6-10(12)11-7-15-5-4-9(11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKey MQWFUXLINLYLIU-UHFFFAOYSA-N
Mol Weight 247.23 g/mol
Molecular Formula C13H10FNO3
Exact Mass 247.064472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 27nCPzJ56mU
Name 3-(5-FLUORO-2-METHOXYPHENYL)-ISONICOTINIC_ACID
Compound Number 6N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10FNO3
InChI InChI=1S/C13H10FNO3/c1-18-12-3-2-8(14)6-10(12)11-7-15-5-4-9(11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKey MQWFUXLINLYLIU-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 DMSO-D6
Source File Reference UWMZ43498
SpectraBase Batch ID 6kptWfj4E5C