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9-(4-BROMO-2-FLUOROPHENYLAMINO)-N-(2-MORPHOLINOETHYL)-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
SpectraBase Compound ID BfUsolekpqo
InChI InChI=1S/C22H21BrFN7OS/c23-13-1-2-15(14(24)11-13)29-21-18-16(27-12-28-21)3-4-17-19(18)33-22(30-17)20(25)26-5-6-31-7-9-32-10-8-31/h1-4,11-12H,5-10H2,(H2,25,26)(H,27,28,29)
InChIKey PDXHMPZDRRHXRN-UHFFFAOYSA-N
Mol Weight 530.42 g/mol
Molecular Formula C22H21BrFN7OS
Exact Mass 529.069571 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQ1Aa7miyYi
Name 9-(4-BROMO-2-FLUOROPHENYLAMINO)-N-(2-MORPHOLINOETHYL)-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21BrFN7OS
InChI InChI=1S/C22H21BrFN7OS/c23-13-1-2-15(14(24)11-13)29-21-18-16(27-12-28-21)3-4-17-19(18)33-22(30-17)20(25)26-5-6-31-7-9-32-10-8-31/h1-4,11-12H,5-10H2,(H2,25,26)(H,27,28,29)
InChIKey PDXHMPZDRRHXRN-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 UWLU81427