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TRIFLUOROACETIC-ACID-2-(4-CYANOPHENYL)-1-METHYLETHYLESTER

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TRIFLUOROACETIC-ACID-2-(4-CYANOPHENYL)-1-METHYLETHYLESTER
SpectraBase Compound ID AnjAeMaj9Vv
InChI InChI=1S/C12H10F3NO2/c1-8(18-11(17)12(13,14)15)6-9-2-4-10(7-16)5-3-9/h2-5,8H,6H2,1H3
InChIKey TXFCJLXWSUAUQY-UHFFFAOYSA-N
Mol Weight 257.21 g/mol
Molecular Formula C12H10F3NO2
Exact Mass 257.066363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3acZANK0TGp
Name TRIFLUOROACETIC-ACID-2-(4-CYANOPHENYL)-1-METHYLETHYLESTER
Compound Number 103D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10F3NO2
InChI InChI=1S/C12H10F3NO2/c1-8(18-11(17)12(13,14)15)6-9-2-4-10(7-16)5-3-9/h2-5,8H,6H2,1H3
InChIKey TXFCJLXWSUAUQY-UHFFFAOYSA-N
Literature Reference Author A.L.J.BECKWITH,P.J.DUGGAN
Literature Reference Citation J.AM.CHEM.SOC.,118,12838(1996)
Literature Reference DOI 10.1021/ja963153o
Molecular Weight 257.212 g/mol
Sample ID 54523
Solvent CDCl3