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1-(4-ISOPROPYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-IMIDAZOLIDINE-2,4,5-TRIONE
SpectraBase Compound ID GEGJnh4ncEd
InChI InChI=1S/C21H18FN3O3S/c1-11(2)13-4-7-15(8-5-13)25-20(27)19(26)24(21(25)28)12(3)18-23-16-9-6-14(22)10-17(16)29-18/h4-12H,1-3H3/t12-/m1/s1
InChIKey BBUVXFNDHCWUJH-GFCCVEGCSA-N
Mol Weight 411.45 g/mol
Molecular Formula C21H18FN3O3S
Exact Mass 411.105291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GheHkwXqIhs
Name 1-(4-ISOPROPYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-IMIDAZOLIDINE-2,4,5-TRIONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18FN3O3S
InChI InChI=1S/C21H18FN3O3S/c1-11(2)13-4-7-15(8-5-13)25-20(27)19(26)24(21(25)28)12(3)18-23-16-9-6-14(22)10-17(16)29-18/h4-12H,1-3H3/t12-/m1/s1
InChIKey BBUVXFNDHCWUJH-GFCCVEGCSA-N
Literature Reference Author V.PEJCHAL,S.STEPANKOVA,Z.PADELKOVA,A.IMRAMOVSKY,J.JAMPILEK
Literature Reference Citation MOLECULES,16,7565(2011)
Literature Reference DOI 10.3390/molecules16097565
Molecular Weight 411.451 g/mol
Sample ID 163
Solvent DMSO-D6