460-07-1

N-ACETYLETHYLENEIMINE(460-07-1)质谱(MS)

产品名称:N-ACETYLETHYLENEIMINE

CAS:460-07-1

分子式:C4H7NO

分子量: 85.1

InChI:InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3

InChIKey: OTIXUSNHAKOJBX-UHFFFAOYSA-N

Smiles:C(=O)(N1CC1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4710          
N-acetylethyleneimine
C4H7NO              (Mass of molecular ion:     85)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       2.2
      15.0      10.2
      26.0       4.0
      27.0       8.2
      28.0      12.8
      29.0       3.3
      30.0       1.2
      31.0       3.8
      40.0       2.2
      41.0       2.5
      42.0       8.7
      43.0      20.6
      44.0       1.2
      45.0       2.2
      52.0       1.9
      54.0      28.5
      55.0     100.0
      56.0      13.2
      84.0       1.6
      85.0      41.8
      86.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ N O	0.04 ml : 0.5 ml CDCl₃
N-acetylethyleneimine

    Assign.     Shift(ppm)

      A             4.231
      B             3.814
      C             1.970
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1701.05   4.257    230
   1700.56   4.256    222
   1691.53   4.233    452
   1682.01   4.209    281
   1681.64   4.208    268
   1535.40   3.842     44
   1534.91   3.841     50
   1533.94   3.839    126
   1533.57   3.838    127
   1532.59   3.835    126
   1532.10   3.834    126
   1531.13   3.832     52
   1530.64   3.830     47
   1525.51   3.818     76
   1524.78   3.816    152
   1524.29   3.815    199
   1523.32   3.812    167
   1522.83   3.811    194
   1521.85   3.808     79
   1521.36   3.807     77
   1516.48   3.795     32
   1515.99   3.794     37
   1515.01   3.791     91
   1514.53   3.790     99
   1513.67   3.788     99
   1513.06   3.786     96
   1512.21   3.784     42
   1511.72   3.783     37
    788.82   1.974    695
    787.48   1.971   1000
    785.89   1.967    553

in CDCl3