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METHYL-9-[4-(TRIFLUOROMETHYL)-PHENYLAMINO]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBIMIDATE
SpectraBase Compound ID 2gsbgV4D75Z
InChI InChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)
InChIKey NFPDLDFOSLPKHQ-UHFFFAOYSA-N
Mol Weight 403.38 g/mol
Molecular Formula C18H12F3N5OS
Exact Mass 403.071466 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mBZUjHZ5Cj
Name METHYL-9-[4-(TRIFLUOROMETHYL)-PHENYLAMINO]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBIMIDATE
Compound Number 8L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12F3N5OS
InChI InChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)
InChIKey NFPDLDFOSLPKHQ-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 UWLU81409