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TRIFLUOROACETIC-ACID-2-(4-CYANOPHENYL)-2-METHYLETHYLESTER
SpectraBase Compound ID G2XBMKwdIKL
InChI InChI=1S/C12H10F3NO2/c1-8(7-18-11(17)12(13,14)15)10-4-2-9(6-16)3-5-10/h2-5,8H,7H2,1H3
InChIKey AZOXRPDLNZJQAX-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 K8CzghzRkBn
Name TRIFLUOROACETIC-ACID-2-(4-CYANOPHENYL)-2-METHYLETHYLESTER
Compound Number 97D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10F3NO2
InChI InChI=1S/C12H10F3NO2/c1-8(7-18-11(17)12(13,14)15)10-4-2-9(6-16)3-5-10/h2-5,8H,7H2,1H3
InChIKey AZOXRPDLNZJQAX-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 54522
Solvent CDCl3