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BUTANOIC-ACID-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER

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BUTANOIC-ACID-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
SpectraBase Compound ID ArzcvPTCJeV
InChI InChI=1S/C14H17NO2/c1-4-5-13(16)17-14(2,3)12-8-6-11(10-15)7-9-12/h6-9H,4-5H2,1-3H3
InChIKey XVCWOKNSOQYUBS-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FteAepXsu6g
Name BUTANOIC-ACID-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
Compound Number 100C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-4-5-13(16)17-14(2,3)12-8-6-11(10-15)7-9-12/h6-9H,4-5H2,1-3H3
InChIKey XVCWOKNSOQYUBS-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 231.294 g/mol
Sample ID 54515
Solvent CDCl3