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4,4-DIFLUORO-1-(THIEN-2-YL)-3-(TRIFLUOROMETHYL)-BUT-3-EN-1-ONE
SpectraBase Compound ID 1NBaOm2UyCO
InChI InChI=1S/C9H5F5OS/c10-8(11)5(9(12,13)14)4-6(15)7-2-1-3-16-7/h1-3H,4H2
InChIKey HBMVMSPMDYROSX-UHFFFAOYSA-N
Mol Weight 256.19 g/mol
Molecular Formula C9H5F5OS
Exact Mass 255.998127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vwMw8BzWta
Name 4,4-DIFLUORO-1-(THIEN-2-YL)-3-(TRIFLUOROMETHYL)-BUT-3-EN-1-ONE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5F5OS
InChI InChI=1S/C9H5F5OS/c10-8(11)5(9(12,13)14)4-6(15)7-2-1-3-16-7/h1-3H,4H2
InChIKey HBMVMSPMDYROSX-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 256.190 g/mol
Sample ID 68550
Solvent CDCl3