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Product NameLactonitrile
CAS78-97-7
Molecular FormulaC3H5NO
Molecular Weight71.08
InChIInChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
InChIKey WOFDVDFSGLBFAC-UHFFFAOYSA-N
SmilesC(#N)C(O)C
MS
13CNMR
IR1
IR2
Mass
MS-NW-4922 lactonitrile C3H5NO (Mass of molecular ion: 71)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.1 13.0 1.5 14.0 4.2 15.0 14.4 16.0 1.2 18.0 1.9 25.0 1.5 26.0 8.1 27.0 20.4 28.0 19.3 29.0 27.8 30.0 1.9 38.0 1.2 39.0 1.0 40.0 1.4 41.0 2.1 42.0 43.2 43.0 24.8 44.0 16.6 45.0 4.4 51.0 3.7 52.0 5.3 53.0 2.7 54.0 4.3 55.0 2.4 56.0 100.0 57.0 2.7 70.0 9.3
in CDCl3
CCl4 solution
liquid film
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Lactonitrile(78-97-7) 13C NMR Atlas of Related Products