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Monday, 8 May 2017

NMR EXAMPLES TO LEARN, (E)-5-Phenylpent-2-enal with real (lit) and predict data




(E)-5-Phenylpent-2-enal has the following physical and spectroscopic properties: 


1H NMR (500 MHz, CDCl3) δ: 2.66-2.71 (m, 2H), 2.85 (t, J = 7.5 Hz, 2 H), 6.15 (ddt, J = 15.8, 7.8, 1.4 Hz, 1 H), 6.87 (td, J = 15.7, 6.7 Hz, 1 H), 7.20-7.25 (m, 3 H), 7.31-7.34 (m, 2 H), 9.51 (d, J = 7.8 Hz, 1 H). 


13C NMR (125 MHz, CDCl3) δ: 34.3, 34.4, 126.6, 128.5, 128.8, 133.6, 140.4, 157.4, 194.1. 


IR (neat) cm−1: 3064, 3031, 2930, 1685, 1490, 1120. 


HRMS calcd. for C11H12O (MH+): 161.0966, found 161.0964. 


GC-MS (EI) m/z (relative intensity), 160 (8%, M+), 142 (14%), 129 (12%), 116 (75%), 92 (35%), 91 (100%), 77 (18%), 65 (60%), 51 (21%).


Purity by GC: 97% (tR = 10.5 min; conditions same as in Note 7).


The material crystallizes in the freezer and has an approximate melting point of -12 to -14 °C.



1H NMR




13 C NMR




1H NMR AND 13C NMR PREDICT COMING.......









Ferdinand Monoyer’s 181st birthday
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O=C\C=C\CCc1ccccc1