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1-(3-CHLORO-4-METHYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-IMIDAZOLIDINE-2,4,5-TRIONE
SpectraBase Compound ID 4JT5Zj8H0hg
InChI InChI=1S/C19H13ClFN3O3S/c1-9-3-5-12(8-13(9)20)24-18(26)17(25)23(19(24)27)10(2)16-22-14-6-4-11(21)7-15(14)28-16/h3-8,10H,1-2H3/t10-/m1/s1
InChIKey BNIIXMHXDPVXIH-SNVBAGLBSA-N
Mol Weight 417.84 g/mol
Molecular Formula C19H13ClFN3O3S
Exact Mass 417.035018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMne34WH0h9
Name 1-(3-CHLORO-4-METHYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-IMIDAZOLIDINE-2,4,5-TRIONE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13ClFN3O3S
InChI InChI=1S/C19H13ClFN3O3S/c1-9-3-5-12(8-13(9)20)24-18(26)17(25)23(19(24)27)10(2)16-22-14-6-4-11(21)7-15(14)28-16/h3-8,10H,1-2H3/t10-/m1/s1
InChIKey BNIIXMHXDPVXIH-SNVBAGLBSA-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 417.842 g/mol
Sample ID 167
Solvent DMSO-D6