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4-PHENYL-5-(4-FLUORO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID 5uVaCzQNk3F
InChI InChI=1S/C22H17FN3S.ClH/c23-18-14-11-17(12-15-18)13-16-21-26(20-9-5-2-6-10-20)25-22(27-21)24-19-7-3-1-4-8-19;/h1-16H,(H,24,25);1H/q+1;/p-1/b16-13+;
InChIKey GLQRUQJJAJQPQX-ZUQRMPMESA-M
Mol Weight 409.91 g/mol
Molecular Formula C22H17ClFN3S
Exact Mass 409.081575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1t6PmB0GxM8
Name 4-PHENYL-5-(4-FLUORO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClFN3S
InChI InChI=1S/C22H17FN3S.ClH/c23-18-14-11-17(12-15-18)13-16-21-26(20-9-5-2-6-10-20)25-22(27-21)24-19-7-3-1-4-8-19;/h1-16H,(H,24,25);1H/q+1;/p-1/b16-13+;
InChIKey GLQRUQJJAJQPQX-ZUQRMPMESA-M
Literature Reference Author A.C.S.D.SANTOS,A.ECHEVARRIA
Literature Reference Citation MAGN.RES.CHEM.,39,182(2001)
Literature Reference DOI 10.1002/mrc.812
Molecular Weight 409.908 g/mol
Solvent CDCl3
Source File Reference UWSI24854