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BUTANOIC-ACID-2-BROMO-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER

View entire compound with spectra: 2 NMR

BUTANOIC-ACID-2-BROMO-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
SpectraBase Compound ID EKeHMwgBCCe
InChI InChI=1S/C14H16BrNO2/c1-3-4-13(17)18-14(2,10-15)12-7-5-11(9-16)6-8-12/h5-8H,3-4,10H2,1-2H3/i17+1
InChIKey VYTOMYKREJBNCK-CAAGJAQSSA-N
Mol Weight 311.19 g/mol
Molecular Formula C14H16BrNO17O
Exact Mass 310.040659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0Ob04ej70P
Name BUTANOIC-ACID-2-BROMO-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
Compound Number 95C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16BrNO17O
InChI InChI=1S/C14H16BrNO2/c1-3-4-13(17)18-14(2,10-15)12-7-5-11(9-16)6-8-12/h5-8H,3-4,10H2,1-2H3/i17+1
InChIKey VYTOMYKREJBNCK-CAAGJAQSSA-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 311.190 g/mol
Sample ID 54514
Solvent CDCl3