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9-(4-BROMO-2-FLUOROPHENYLAMINO)-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
SpectraBase Compound ID 70DX3dRUPwB
InChI InChI=1S/C16H7BrFN5S/c17-8-1-2-10(9(18)5-8)23-16-14-11(20-7-21-16)3-4-12-15(14)24-13(6-19)22-12/h1-5,7H,(H,20,21,23)
InChIKey JSQAEDGOVQRZHZ-UHFFFAOYSA-N
Mol Weight 400.23 g/mol
Molecular Formula C16H7BrFN5S
Exact Mass 398.958958 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGnqPfzZB
Name 9-(4-BROMO-2-FLUOROPHENYLAMINO)-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H7BrFN5S
InChI InChI=1S/C16H7BrFN5S/c17-8-1-2-10(9(18)5-8)23-16-14-11(20-7-21-16)3-4-12-15(14)24-13(6-19)22-12/h1-5,7H,(H,20,21,23)
InChIKey JSQAEDGOVQRZHZ-UHFFFAOYSA-N
Literature Reference Author A.FOUCOURT,D.HEDOU,C.DUBOUILH-BENARD,L.DESIRE,A.S.CASAGRANDE ,B.LEBLOND,N.LOAEEC,
Literature Reference Citation MOLECULES,19,15546(2014)
Literature Reference DOI 10.3390/molecules191015546
Solvent DMSO-D6
Source File Reference UWLU81425