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9-(3-CHLORO-4-FLUOROPHENYLAMINO)-N-[2-(DIMETHYLAMINO)-ETHYL]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
SpectraBase Compound ID 9uaiB7o5p1z
InChI InChI=1S/C20H19ClFN7S/c1-29(2)8-7-24-18(23)20-28-15-6-5-14-16(17(15)30-20)19(26-10-25-14)27-11-3-4-13(22)12(21)9-11/h3-6,9-10H,7-8H2,1-2H3,(H2,23,24)(H,25,26,27)
InChIKey MCASQLIPHUKXSN-UHFFFAOYSA-N
Mol Weight 443.93 g/mol
Molecular Formula C20H19ClFN7S
Exact Mass 443.109521 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtxYxD5BVV2
Name 9-(3-CHLORO-4-FLUOROPHENYLAMINO)-N-[2-(DIMETHYLAMINO)-ETHYL]-THIAZOLO-[5,4-F]-QUINAZOLINE-2-CARBOXIMIDAMIDE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19ClFN7S
InChI InChI=1S/C20H19ClFN7S/c1-29(2)8-7-24-18(23)20-28-15-6-5-14-16(17(15)30-20)19(26-10-25-14)27-11-3-4-13(22)12(21)9-11/h3-6,9-10H,7-8H2,1-2H3,(H2,23,24)(H,25,26,27)
InChIKey MCASQLIPHUKXSN-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 UWLU81437