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Methyl 2-[(pentafluorophenyl)methyl]-4-pentenoate

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Methyl 2-[(pentafluorophenyl)methyl]-4-pentenoate
SpectraBase Compound ID BTfgX7WTPlC
InChI InChI=1S/C13H11F5O2/c1-3-4-6(13(19)20-2)5-7-8(14)10(16)12(18)11(17)9(7)15/h3,6H,1,4-5H2,2H3
InChIKey RTUHGYOETOSCEC-UHFFFAOYSA-N
Mol Weight 294.22 g/mol
Molecular Formula C13H11F5O2
Exact Mass 294.06792 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4echJbryPb
Name METHYL-2-((PENTAFLUOROPHENYL)-METHYL)-4-PENTENOATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F5O2
InChI InChI=1S/C13H11F5O2/c1-3-4-6(13(19)20-2)5-7-8(14)10(16)12(18)11(17)9(7)15/h3,6H,1,4-5H2,2H3
InChIKey RTUHGYOETOSCEC-UHFFFAOYSA-N
Literature Reference Author A.C.ALBENIZ,P.ESPINET,Y.S.LIN
Literature Reference Citation J.AM.CHEM.SOC.,118,7145(1996)
Literature Reference DOI 10.1021/ja960333p
Solvent CDCl3
Source File Reference UWSI36299