Lactonitrile(78-97-7) IR1

Product NameLactonitrile

CAS 78-97-7

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

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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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