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4-FLUORO-3-(4-PYRIDINYLAMINO)-BENZO-[B]-THIOPHENE-MALEAT
SpectraBase Compound ID 9DUJvtCaTRr
InChI InChI=1S/C13H9FN2S.C4H4O4/c14-10-2-1-3-12-13(10)11(8-17-12)16-9-4-6-15-7-5-9;5-3(6)1-2-4(7)8/h1-8H,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey JALNIROUMXOMEZ-BTJKTKAUSA-N
Mol Weight 360.36 g/mol
Molecular Formula C17H13FN2O4S
Exact Mass 360.058006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TxWmXZFuku
Name 4-FLUORO-3-(4-PYRIDINYLAMINO)-BENZO-[B]-THIOPHENE-MALEAT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13FN2O4S
InChI InChI=1S/C13H9FN2S.C4H4O4/c14-10-2-1-3-12-13(10)11(8-17-12)16-9-4-6-15-7-5-9;5-3(6)1-2-4(7)8/h1-8H,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey JALNIROUMXOMEZ-BTJKTKAUSA-N
Literature Reference Author J.D.TOMER,G.M.SHUTSKE,D.FRIEDRICH
Literature Reference Citation J.HETCYCL.CHEM.,34,1769(1997)
Literature Reference DOI 10.1002/jhet.5570340621
Molecular Weight 360.360 g/mol
Solvent DMSO-D6
Source File Reference UWSW488