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9-[4-(TRIFLUOROMETHYL)-PHENYLAMINO]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBONITRILE
SpectraBase Compound ID E1KaLxpPtIy
InChI InChI=1S/C17H8F3N5S/c18-17(19,20)9-1-3-10(4-2-9)24-16-14-11(22-8-23-16)5-6-12-15(14)26-13(7-21)25-12/h1-6,8H,(H,22,23,24)
InChIKey MRAKSJBBILWZEO-UHFFFAOYSA-N
Mol Weight 371.34 g/mol
Molecular Formula C17H8F3N5S
Exact Mass 371.045251 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6vawWAyRvy
Name 9-[4-(TRIFLUOROMETHYL)-PHENYLAMINO]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBONITRILE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H8F3N5S
InChI InChI=1S/C17H8F3N5S/c18-17(19,20)9-1-3-10(4-2-9)24-16-14-11(22-8-23-16)5-6-12-15(14)26-13(7-21)25-12/h1-6,8H,(H,22,23,24)
InChIKey MRAKSJBBILWZEO-UHFFFAOYSA-N
Literature Reference Author A.FOUCOURT,D.HEDOU,C.DUBOUILH-BENARD,A.GIRARD,T.TAVERNE,A.S. CASAGRANDE,L.DESIRE,
Literature Reference Citation MOLECULES,19,15411(2014)
Literature Reference DOI 10.3390/molecules191015411
Solvent DMSO-D6
Source File Reference UWLU81404