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5-(3,7-DIMETHYLOCTA-2,6-DIENYL)-5-PHENYL-3-TRIFLUOROMETHYL-5H-THIOPHEN-2-ONE
SpectraBase Compound ID 85PVkqhzLMU
InChI InChI=1S/C21H23F3OS/c1-15(2)8-7-9-16(3)12-13-20(17-10-5-4-6-11-17)14-18(19(25)26-20)21(22,23)24/h4-6,8,10-12,14H,7,9,13H2,1-3H3/b16-12-
InChIKey NVLKOWCUHQYZKQ-VBKFSLOCSA-N
Mol Weight 380.47 g/mol
Molecular Formula C21H23F3OS
Exact Mass 380.142171 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCbjcjbe7rS
Name 5-(3,7-DIMETHYLOCTA-2,6-DIENYL)-5-PHENYL-3-TRIFLUOROMETHYL-5H-THIOPHEN-2-ONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23F3OS
InChI InChI=1S/C21H23F3OS/c1-15(2)8-7-9-16(3)12-13-20(17-10-5-4-6-11-17)14-18(19(25)26-20)21(22,23)24/h4-6,8,10-12,14H,7,9,13H2,1-3H3/b16-12-
InChIKey NVLKOWCUHQYZKQ-VBKFSLOCSA-N
Literature Reference Author K.BURGER,L.HENNIG,A.FUCHS,D.GREIF,J.SPENGLER,F.ALBERICIO
Literature Reference Citation MH.CHEM.,136,1763(2005)
Literature Reference DOI 10.1007/s00706-005-0366-z
Solvent CDCl3
Source File Reference UWSI24225