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(E)-1,1,1-trifluoro-4-(hydroxy-methylamino)-4-phenylbut-3-en-2-one
SpectraBase Compound ID J2y3bSpZcYL
InChI InChI=1S/C11H10F3NO2/c1-15(17)9(7-10(16)11(12,13)14)8-5-3-2-4-6-8/h2-7,17H,1H3/b9-7+
InChIKey XMPUTOOZNKJQEP-VQHVLOKHSA-N
Mol Weight 245.2 g/mol
Molecular Formula C11H10F3NO2
Exact Mass 245.066363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I86zzR8STJA
Name (E)-1,1,1-trifluoro-4-(hydroxy-methylamino)-4-phenylbut-3-en-2-one
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9F3NO2
InChI InChI=1S/C11H10F3NO2/c1-15(17)9(7-10(16)11(12,13)14)8-5-3-2-4-6-8/h2-7,17H,1H3/b9-7+
InChIKey XMPUTOOZNKJQEP-VQHVLOKHSA-N
Literature Reference Author M.A.P.MARTINS,A.F.C.FLORES,G.P.BASTOS,N.ZANATTA,H.G.BONACORS O
Literature Reference Citation J.HETCYCL.CHEM.,36,837(1999)
Literature Reference DOI 10.1002/jhet.5570360402
Molecular Weight 244.193 g/mol
Solvent CDCl3
Source File Reference UWSI24622