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3-ALLYL-5-PARA-TOLYL-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
SpectraBase Compound ID JWDODFFI0UD
InChI InChI=1S/C15H13F3O2/c1-3-8-14(15(16,17)18)9-12(20-13(14)19)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3
InChIKey HXANTEDJAYHRSQ-UHFFFAOYSA-N
Mol Weight 282.26 g/mol
Molecular Formula C15H13F3O2
Exact Mass 282.086764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qMIn63P5FK
Name 3-ALLYL-5-PARA-TOLYL-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13F3O2
InChI InChI=1S/C15H13F3O2/c1-3-8-14(15(16,17)18)9-12(20-13(14)19)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3
InChIKey HXANTEDJAYHRSQ-UHFFFAOYSA-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
Molecular Weight 282.262 g/mol
Solvent CDCl3
Source File Reference UWSI24217