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2-[5-[(2,4,5-TRIFLUOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-(4-FLUOROPHENYL)-ETHANONE
SpectraBase Compound ID GdaYobMhIUd
InChI InChI=1S/C17H11F4N3OS2/c18-10-3-1-9(2-4-10)15(25)8-26-17-24-23-16(27-17)7-22-14-6-12(20)11(19)5-13(14)21/h1-6,22H,7-8H2
InChIKey UUTXPKBJHKXTGM-UHFFFAOYSA-N
Mol Weight 413.41 g/mol
Molecular Formula C17H11F4N3OS2
Exact Mass 413.027967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FG0eYVWoPQc
Name 2-[5-[(2,4,5-TRIFLUOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-(4-FLUOROPHENYL)-ETHANONE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11F4N3OS2
InChI InChI=1S/C17H11F4N3OS2/c18-10-3-1-9(2-4-10)15(25)8-26-17-24-23-16(27-17)7-22-14-6-12(20)11(19)5-13(14)21/h1-6,22H,7-8H2
InChIKey UUTXPKBJHKXTGM-UHFFFAOYSA-N
Literature Reference Author S.KERUR,K.ALAGAWADI,H.ZHU,F.MANVI
Literature Reference Citation EUR.J.CHEM.,3,293(2012)
Literature Reference DOI 10.5155/eurjchem.3.3.293-297.613
Molecular Weight 413.407 g/mol
Solvent DMSO-D6
Source File Reference UWIR17890