Methyl cyanoacetate(105-34-0) 13C NMR
Product NameMethyl cyanoacetate
CAS105-34-0
Molecular FormulaC4H5NO2
Molecular Weight99.09
InChIInChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChIKey ANGDWNBGPBMQHW-UHFFFAOYSA-N
SmilesC(OC)(=O)CC#N
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MassMS-NW-5077 methyl cyanoacetate C4H5NO2 (Mass of molecular ion: 99)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
13.0 1.2 14.0 2.5 15.0 44.9 26.0 1.3 27.0 1.5 28.0 4.4 29.0 8.4 30.0 1.5 31.0 6.1 32.0 1.0 38.0 4.3 39.0 8.7 40.0 29.4 41.0 5.4 42.0 4.8 44.0 2.3 54.0 9.9 55.0 9.9 59.0 100.0 60.0 2.4 67.0 11.7 68.0 63.8 69.0 2.6
parameter in CDCl3
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1H NMR 300 MHz C4 H5 N O2 10.5 mol% in CDCl3 methyl cyanoacetate 
Parameter ppm Hz
D(A) 3.520 D(B) 3.821
Hz ppm Int.1146.30 3.821 1000 1056.00 3.520 667
in CDCl3
liquid film
