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9-(3-CHLORO-4-FLUOROPHENYLAMINO)-N-[2-(PYRROLIDIN-1-YL)-ETHYL]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
SpectraBase Compound ID FEytPvX1vBD
InChI InChI=1S/C22H21ClFN7S/c23-14-11-13(3-4-15(14)24)29-21-18-16(27-12-28-21)5-6-17-19(18)32-22(30-17)20(25)26-7-10-31-8-1-2-9-31/h3-6,11-12H,1-2,7-10H2,(H2,25,26)(H,27,28,29)
InChIKey XLVQYBGIVRTYRN-UHFFFAOYSA-N
Mol Weight 469.97 g/mol
Molecular Formula C22H21ClFN7S
Exact Mass 469.125171 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDdeBe19vnq
Name 9-(3-CHLORO-4-FLUOROPHENYLAMINO)-N-[2-(PYRROLIDIN-1-YL)-ETHYL]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClFN7S
InChI InChI=1S/C22H21ClFN7S/c23-14-11-13(3-4-15(14)24)29-21-18-16(27-12-28-21)5-6-17-19(18)32-22(30-17)20(25)26-7-10-31-8-1-2-9-31/h3-6,11-12H,1-2,7-10H2,(H2,25,26)(H,27,28,29)
InChIKey XLVQYBGIVRTYRN-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 CD3OD
Source File Reference UWLU81436