5105-78-2

N-芐氧羰基-4-氨基丁酸(5105-78-2)質(zhì)譜(MS)

產(chǎn)品名稱:N-芐氧羰基-4-氨基丁酸

CAS:5105-78-2

分子式:C12H15NO4

分子量: 237.25

InChI:InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)

InChIKey: STQMDRQJSNKUAW-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCNC(OCC1=CC=CC=C1)=O

Mass

MS-NW-2398          
4-(benzyloxycarbonylamino)butyric acid
C12H15NO4           (Mass of molecular ion:    237)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       2.6
      17.0       2.1
      18.0      10.3
      26.0       5.3
      27.0      18.4
      28.0      24.8
      29.0       8.1
      30.0      15.9
      31.0       4.2
      37.0       2.4
      38.0       4.2
      39.0      18.2
      40.0       5.4
      41.0      23.0
      42.0      19.5
      43.0       6.6
      44.0      22.5
      45.0       9.9
      49.0       1.0
      50.0       9.1
      51.0      20.8
      52.0       7.0
      53.0       4.9
      53.5       1.1
      54.0       3.6
      55.0       6.7
      56.0      43.9
      57.0       3.4
      58.0       1.0
      59.0       4.3
      60.0      36.6
      61.0       2.3
      62.0       2.6
      63.0       6.0
      64.0       1.7
      65.0      13.0
      66.0       1.2
      69.0       5.2
      70.0       3.7
      73.0      21.5
      74.0       9.5
      75.0       1.7
      76.0       1.5
      77.0      45.2
      78.0      10.4
      79.0      91.0
      80.0       9.2
      82.0       1.9
      83.0      12.4
      84.0       9.4
      85.0      21.7
      86.0       8.9
      87.0       1.4
      89.0       7.0
      90.0       9.9
      91.0      60.9
      92.0       7.5
     101.0       3.5
     102.0       2.7
     105.0       5.9
     106.0       3.5
     107.0      66.3
     108.0     100.0
     109.0       7.6
     112.0       3.0
     113.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₅ N O₄	0.042 g : 0.5 ml CDCl₃
4-(benzyloxycarbonylamino)butyric acid

    Assign.     Shift(ppm)

      A            10.9
      B             7.33
      C             5.092
      D             5.0
      E             3.219
      F             2.358
      G             1.825

     Hz     ppm     Int.

    974.93  10.886     34
    660.50   7.375     33
    656.32   7.329   1000
    456.15   5.094    230
    292.09   3.262     76
    285.79   3.192     84
    279.42   3.120     37
    220.31   2.460     40
    219.58   2.452     41
    219.29   2.449     41
    212.26   2.371    117
    205.74   2.298     79
    205.37   2.294     80
    169.26   1.890     66
    168.97   1.887     68
    162.38   1.814     84
    155.42   1.736     47

in CDCl3