Methoxyacetonitrile(1738-36-9) IR1
Product NameMethoxyacetonitrile
CAS1738-36-9
Molecular FormulaC3H5NO
Molecular Weight71.08
InChIInChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey QKPVEISEHYYHRH-UHFFFAOYSA-N
SmilesC(#N)COC
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MassMS-NW-4312 methoxyacetonitrile C3H5NO (Mass of molecular ion: 71)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.8 13.0 2.8 14.0 6.1 15.0 48.5 16.0 1.5 26.0 2.3 27.0 2.7 28.0 20.1 29.0 82.5 30.0 4.2 31.0 4.5 38.0 4.3 39.0 6.1 40.0 31.4 41.0 100.0 42.0 42.1 43.0 5.0 44.0 8.9 45.0 18.2 54.0 4.0 56.0 3.1 70.0 65.7 71.0 24.8 72.0 1.1 74.0 2.0
parameter in CDCl3
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1H NMR 300 MHz C3 H5 N O 0.04 ml : 0.5 ml CDCl3 methoxyacetonitrile 
Parameter ppm Hz
D(A) 4.208 D(B) 3.477
Hz ppm Int.1262.40 4.208 667 1043.10 3.477 1000
in CDCl3
liquid film
4880 A,200 M,liquid
