Ethyl cyanoacetate(105-56-6) 13C NMR
Product NameEthyl cyanoacetate
CAS105-56-6
Molecular FormulaC5H7NO2
Molecular Weight113.11
InChIInChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
InChIKey ZIUSEGSNTOUIPT-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC#N
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MassMS-NW-1495 ethyl cyanoacetate C5H7NO2 (Mass of molecular ion: 113)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.5 15.0 3.6 26.0 4.0 27.0 22.5 28.0 10.0 29.0 100.0 30.0 2.2 31.0 3.0 38.0 1.8 39.0 3.6 40.0 17.5 41.0 13.0 42.0 4.8 43.0 6.3 44.0 1.6 45.0 9.9 54.0 1.3 60.0 1.0 67.0 1.7 68.0 71.0 69.0 2.8 86.0 10.6 113.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H7 N O2 0.04 ml : 0.5 ml CDCl3 ethyl cyanoacetate 
Assign. Shift(ppm)
A 4.270 B 3.477 C 1.326
Hz ppm Int.393.38 4.393 94 386.19 4.313 297 379.06 4.233 313 372.00 4.154 109 311.44 3.478 1000 125.69 1.404 385 118.56 1.324 801 116.25 1.299 26 111.38 1.244 341
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
UV PHOTOLYSIS IN T-BUTYL ALCOHOL, H2O2, 35C
