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1-(3,5-DIMETHYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-UREA
SpectraBase Compound ID I9VPBU3F0Rh
InChI InChI=1S/C20H16FN3O3S/c1-10-6-11(2)8-14(7-10)24-19(26)18(25)23(20(24)27)12(3)17-22-15-5-4-13(21)9-16(15)28-17/h4-9,12H,1-3H3/t12-/m1/s1
InChIKey GSUHJVJYTHPRNK-GFCCVEGCSA-N
Mol Weight 397.42 g/mol
Molecular Formula C20H16FN3O3S
Exact Mass 397.089641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvwIO5GJ1Zu
Name 1-(3,5-DIMETHYLPHENYL)-3-[(1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)-ETHYL]-UREA
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16FN3O3S
InChI InChI=1S/C20H16FN3O3S/c1-10-6-11(2)8-14(7-10)24-19(26)18(25)23(20(24)27)12(3)17-22-15-5-4-13(21)9-16(15)28-17/h4-9,12H,1-3H3/t12-/m1/s1
InChIKey GSUHJVJYTHPRNK-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 397.424 g/mol
Sample ID 168
Solvent DMSO-D6