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2-[5-[(2,4,5-TRICHLOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-(4-FLUOROPHENYL)-ETHANONE
SpectraBase Compound ID KO5uxWWbFy
InChI InChI=1S/C17H11Cl3FN3OS2/c18-11-5-13(20)14(6-12(11)19)22-7-16-23-24-17(27-16)26-8-15(25)9-1-3-10(21)4-2-9/h1-6,22H,7-8H2
InChIKey LOMUVBZLBAQYFF-UHFFFAOYSA-N
Mol Weight 462.77 g/mol
Molecular Formula C17H11Cl3FN3OS2
Exact Mass 460.939316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qxxpYfnj4l
Name 2-[5-[(2,4,5-TRICHLOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-(4-FLUOROPHENYL)-ETHANONE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11Cl3FN3OS2
InChI InChI=1S/C17H11Cl3FN3OS2/c18-11-5-13(20)14(6-12(11)19)22-7-16-23-24-17(27-16)26-8-15(25)9-1-3-10(21)4-2-9/h1-6,22H,7-8H2
InChIKey LOMUVBZLBAQYFF-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 462.771 g/mol
Solvent DMSO-D6
Source File Reference UWIR17889