39910-98-0

4-嗎啉基苯丙酮(39910-98-0)質(zhì)譜(MS)

產(chǎn)品名稱:4-嗎啉基苯丙酮

CAS:39910-98-0

分子式:C12H15NO2

分子量: 205.25

InChI:InChI=1S/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3

InChIKey: AKQWEDMTPCAESO-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(N2CCOCC2)C=C1)C

Mass

MS-NW-6687          
4'-morpholinoacetophenone
C12H15NO2           (Mass of molecular ion:    205)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.6
      18.0       1.0
      27.0       3.3
      28.0       3.6
      29.0       1.2
      39.0       2.4
      41.0       1.1
      42.0       4.1
      43.0      11.4
      50.0       3.5
      51.0       6.4
      52.0       1.5
      57.0       2.9
      58.5       1.7
      63.0       3.2
      64.0       1.0
      65.0       2.6
      65.5       3.0
      66.0       1.4
      72.5       1.0
      74.0       1.2
      75.0       1.9
      76.0       4.9
      77.0      14.6
      78.0       5.7
      79.0       1.3
      89.0       2.1
      90.0       2.9
      91.0       6.1
      92.0       1.0
     102.0       1.4
     103.0       2.3
     104.0       8.8
     105.0       3.1
     106.0       1.1
     117.0       2.1
     118.0       2.6
     119.0       2.1
     130.0       1.1
     132.0      91.7
     133.0       9.9
     146.0       2.8
     147.0      46.2
     148.0       5.8
     174.0       3.4
     175.0       2.4
     176.0       2.1
     190.0      40.4
     191.0       5.2
     204.0       5.9
     205.0     100.0
     206.0      13.6
     207.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₅ N O₂	0.038 g : 0.5 ml CDCl₃
4'-morpholinoacetophenone

    Assign.     Shift(ppm)

      A             7.883
      B             6.866
      C             3.843
      D             3.300
      E             2.519

     Hz     ppm     Int.

    710.94   7.939    145
    708.81   7.915     38
    704.00   7.861     40
    701.81   7.837    175
    618.94   6.911    132
    616.81   6.888     34
    611.94   6.833     30
    609.81   6.809    107
    349.88   3.907    102
    345.19   3.855    135
    343.19   3.832     64
    340.13   3.798    165
    300.13   3.352    153
    296.88   3.315     62
    295.00   3.294    126
    290.25   3.241    101
    225.63   2.520   1000

in CDCl3