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Monday 18 July 2016

Ethyl 2-(3-chloro-5-cyanophenoxy)acetate


SCHEMBL15778741.png

Molecular Formula:C11H10ClNO3
Molecular Weight:239.655 g/mol

COSY PREDICT









Ethyl 2-(3-chloro-5-cyanophenoxy)acetate



Characterization Data:

1H NMR (CDCl3, 500 MHz) δ 7.29 (m, 1H), 7.15 (m, 1H), 7.06 (m, 1H), 4.67 (s, 2H), 4.32 (q, J = 7.0 Hz, 2H), 1.35 (t, J = 7 Hz, 3H).

13C NMR (CDCl3, 125 MHz) δ = 167.5,158.6, 136.2, 125.2, 120.3, 117.2, 116.4, 114.4, 65.5, 61.8, 14.1 ppm.

HRMS (ESI) cald for C11H11NO3Cl [M+H]+240.0427, found 240.0418. 

Melting point: 41-42 °C.




1H NMR (CDCl3, 500 MHz) δ 7.29 (m, 1H), 7.15 (m, 1H), 7.06 (m, 1H), 4.67 (s, 2H), 4.32 (q, J = 7.0 Hz, 2H), 1.35 (t, J = 7 Hz, 3H).
below


13C NMR (CDCl3, 125 MHz) δ = 167.5,158.6, 136.2, 125.2, 120.3, 117.2, 116.4, 114.4, 65.5, 61.8, 14.1 ppm.
above


1H NMR predict







13 C NMR PREDICT







HSQC PREDICT



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Clc1cc(cc(OCC(=O)OCC)c1)C#N

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