Ethyl isocyanate(109-90-0) Raman
Product NameEthyl isocyanate
CAS109-90-0
Molecular FormulaC3H5NO
Molecular Weight71.08
InChIInChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3
InChIKey WUDNUHPRLBTKOJ-UHFFFAOYSA-N
SmilesCCN=C=O
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MassMS-NW-2722 ethyl isocyanate C3H5NO (Mass of molecular ion: 71)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.7 15.0 8.7 26.0 4.3 27.0 11.3 28.0 18.8 29.0 3.5 38.0 1.7 39.0 2.2 40.0 5.5 41.0 4.2 42.0 8.8 43.0 10.7 44.0 1.0 55.0 3.5 56.0 100.0 57.0 2.7 70.0 6.2 71.0 60.6 72.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H5 N O 0.05 ml : 0.5 ml CDCl3 ethyl isocyanate 
Assign. Shift(ppm)
A 3.33 B 1.294
Hz ppm Int.309.50 3.456 165 309.13 3.452 164 302.00 3.373 686 294.81 3.292 740 287.88 3.215 209 287.56 3.211 203 122.69 1.370 517 117.50 1.312 33 115.63 1.292 1000 108.31 1.210 429
in CDCl3
liquid film
