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8-AMINO-7-FLUORO-2,3-DIHYDROBENZO-[B]-[1.4]-DIOXINE-5-CARBOXYLIC_ACID
SpectraBase Compound ID IaHe6eVn3wq
InChI InChI=1S/C9H8FNO4/c10-5-3-4(9(12)13)7-8(6(5)11)15-2-1-14-7/h3H,1-2,11H2,(H,12,13)
InChIKey HGTHVKHFZLEIJH-UHFFFAOYSA-N
Mol Weight 213.16 g/mol
Molecular Formula C9H8FNO4
Exact Mass 213.043736 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmYstlDn3yz
Name 8-AMINO-7-FLUORO-2,3-DIHYDROBENZO-[B]-[1.4]-DIOXINE-5-CARBOXYLIC_ACID
Compound Number 17E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8FNO4
InChI InChI=1S/C9H8FNO4/c10-5-3-4(9(12)13)7-8(6(5)11)15-2-1-14-7/h3H,1-2,11H2,(H,12,13)
InChIKey HGTHVKHFZLEIJH-UHFFFAOYSA-N
Literature Reference Author R.XU,J.HONG,C.L.MORSE,V.W.PIKE
Literature Reference Citation J.MED.CHEM.,53,7035(2010)
Literature Reference DOI 10.1021/jm100668r
Solvent CD3OD
Source File Reference UWMZ34530