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2-[5-[(2,4,5-TRIFLUOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-PHENYL-ETHANONE
SpectraBase Compound ID DGCHe8ksmLg
InChI InChI=1S/C17H12F3N3OS2/c18-11-6-13(20)14(7-12(11)19)21-8-16-22-23-17(26-16)25-9-15(24)10-4-2-1-3-5-10/h1-7,21H,8-9H2
InChIKey DASSMWTYDBDPSH-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C17H12F3N3OS2
Exact Mass 395.037389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ah4IGrV9iZv
Name 2-[5-[(2,4,5-TRIFLUOROPHENYLAMINO)-METHYL]-1,3,4-THIADIAZOL-2-YL-THIO]-1-PHENYL-ETHANONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F3N3OS2
InChI InChI=1S/C17H12F3N3OS2/c18-11-6-13(20)14(7-12(11)19)21-8-16-22-23-17(26-16)25-9-15(24)10-4-2-1-3-5-10/h1-7,21H,8-9H2
InChIKey DASSMWTYDBDPSH-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 395.417 g/mol
Solvent DMSO-D6
Source File Reference UWIR17886