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4,4,4-TRIFLUORO-1-(THIEN-2-YL)-3-(TRIFLUOROMETHYL)-1-BUTANONE
SpectraBase Compound ID lsix0CIxIX
InChI InChI=1S/C9H6F6OS/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-3,7H,4H2
InChIKey LJMHKLORCLZURJ-UHFFFAOYSA-N
Mol Weight 276.2 g/mol
Molecular Formula C9H6F6OS
Exact Mass 276.004355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpXbsMDpa7N
Name 4,4,4-TRIFLUORO-1-(THIEN-2-YL)-3-(TRIFLUOROMETHYL)-1-BUTANONE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F6OS
InChI InChI=1S/C9H6F6OS/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-3,7H,4H2
InChIKey LJMHKLORCLZURJ-UHFFFAOYSA-N
Literature Reference Author K.BURGER,B.HELMREICH,L.HENNIG,J.SPENGLER,F.ALBERICIO,A.FUCHS
Literature Reference Citation MH.CHEM.,138,227(2007)
Literature Reference DOI 10.1007/s00706-007-0587-4
Molecular Weight 276.196 g/mol
Sample ID 68553
Solvent CDCl3