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
Mass
MS-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
1H NMR | 89.56 MHz |
C3 H5 N O | 0.05 ml : 0.5 ml CDCl3 |
ethyl isocyanate |
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Assign. Shift(ppm) |
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
Ethyl isocyanate(109-90-0) Raman Atlas of Related Products