MORPHOLINOACETONITRILE(5807-02-3) ¹³C NMR

Product NameMORPHOLINOACETONITRILE

CAS 5807-02-3

Molecular FormulaC6H10N2O

Molecular Weight126.16

InChIInChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2

InChIKey OOSOCAXREAGIGA-UHFFFAOYSA-N

SmilesN1(CC#N)CCOCC1

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Mass

MS-IW-4916          
morpholinoacetonitrile
C6H10N2O            (Mass of molecular ion:    126)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.4
      15.0       7.8
      26.0       5.3
      27.0      17.8
      28.0      38.2
      29.0      11.8
      30.0       5.6
      31.0       3.6
      39.0       3.4
      40.0      17.2
      41.0      67.9
      42.0      52.9
      43.0      93.7
      44.0       5.7
      45.0       3.0
      52.0       2.2
      53.0       1.4
      54.0      13.5
      55.0       9.1
      56.0      38.7
      57.0       6.4
      58.0      18.6
      59.0       3.0
      66.0       2.9
      67.0      35.1
      68.0      50.3
      69.0      14.1
      70.0       3.5
      71.0       8.1
      72.0       1.0
      81.0       2.0
      82.0       1.4
      83.0      14.3
      84.0       1.3
      86.0      25.4
      87.0       1.9
      95.0       5.5
      96.0      11.2
      97.0       2.8
      98.0      10.4
      99.0       1.8
     100.0      11.6
     101.0       1.0
     125.0      10.7
     126.0     100.0
     127.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ N₂ O	0.040 g : 0.5 ml CDCl₃
morpholinoacetonitrile

    Assign.     Shift(ppm)

      A             3.745
      B             3.520
      C             2.597

     Hz     ppm     Int.

   1501.59   3.758    307
   1496.95   3.746    308
   1492.19   3.734    293
   1409.18   3.527     50
   1406.74   3.520   1000
   1404.17   3.514     35
   1403.08   3.511     22
   1042.48   2.609    404
   1037.72   2.597    337
   1032.96   2.585    373

in CDCl3