Ethyl cyanoformate(623-49-4) IR1
Product NameEthyl cyanoformate
CAS623-49-4
Molecular FormulaC4H5NO2
Molecular Weight99.09
InChIInChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
InChIKey MSMGXWFHBSCQFB-UHFFFAOYSA-N
SmilesC(C#N)(OCC)=O
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MassMS-IW-4040 ethyl cyanoformate C4H5NO2 (Mass of molecular ion: 99)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.3 15.0 4.2 26.0 6.7 27.0 21.4 28.0 84.8 29.0 75.1 30.0 2.6 41.0 1.1 42.0 2.0 43.0 8.8 44.0 2.5 45.0 8.2 54.0 100.0 55.0 4.7 70.0 1.1 72.0 6.5 84.0 56.7 85.0 2.1 98.0 7.3
parameter in CDCl3
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1H NMR 300 MHz C4 H5 N O2 0.05 ml : 0.5 ml CDCl3 ethyl cyanoformate 
Parameter ppm Hz
D(A) 4.412 D(B) 1.394 J(A,B) 7.2
Hz ppm Int.1334.45 4.448 163 1327.26 4.424 494 1320.04 4.400 502 1312.86 4.376 171 425.36 1.418 507 418.20 1.394 1000 410.99 1.370 491
in CDCl3
liquid film
