Fmoc-L-苯丙氨酸(35661-40-6)核磁圖(¹³CNMR)

分子式:C24H21NO4

分子量: 387.43

InChI:InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1

InChIKey: SJVFAHZPLIXNDH-QFIPXVFZSA-N

Smiles:C(O)(=O)[C@H](CC1=CC=CC=C1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Mass

MS-IW-2651          
N-((9-fluorenyl)methoxycarbonyl)-L-phenylalanine
C24H21NO4           (Mass of molecular ion:    387)

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

      18.0       2.6
      28.0       2.6
      39.0       3.3
      44.0       1.2
      50.0       1.5
      51.0       3.2
      62.0       1.3
      63.0       3.7
      65.0       7.0
      69.5       1.1
      74.0       2.3
      75.0       1.4
      76.0       1.7
      77.0       1.9
      82.5       1.5
      87.0       1.2
      88.0       1.6
      89.0       3.2
      90.0       1.2
      91.0     100.0
      92.0      10.6
     103.0       1.0
     115.0       2.5
     120.0       1.1
     139.0       4.0
     151.0       1.3
     152.0       1.9
     162.0       1.0
     163.0       9.0
     164.0       8.1
     165.0      81.5
     166.0      61.5
     167.0       8.6
     176.0       2.7
     177.0       2.2
     178.0      30.9
     179.0       6.3
     191.0       3.8
     196.0      25.6
     197.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₄ H₂₁ N O₄	0.045 g : 0.5 ml DMSO-d₆
N-((9-fluorenyl)methoxycarbonyl)-L-phenylalanine

    Assign.     Shift(ppm)

      A            12.78
      B             7.886
      C             7.76
      D     *1      7.66
      E     *1      7.64
      F             7.41
      G             7.32
      J             7.28
      K             7.21
      L          4.22 to 4.13
      M     *2      3.086
      N     *2      2.878
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3155.59   7.896    330
   3148.08   7.878    365
   3107.42   7.776    110
   3098.99   7.755    114
   3065.29   7.670    149
   3057.60   7.651    300
   3049.72   7.631    172
   2971.88   7.437     84
   2968.95   7.429    114
   2964.55   7.418    190
   2962.17   7.412    238
   2961.62   7.411    238
   2957.22   7.400    128
   2954.66   7.394    144
   2932.68   7.339    118
   2925.17   7.320    198
   2921.51   7.311    170
   2920.59   7.308    182
   2918.39   7.303    123
   2917.66   7.301    130
   2912.16   7.287    768
   2907.58   7.276   1000
   2899.53   7.256     63
   2897.51   7.251     49
   2895.31   7.245     34
   2894.58   7.243     31
   2892.75   7.239     43
   2890.92   7.234     32
   2888.90   7.229     91
   2884.69   7.219    120
   2880.29   7.208    122
   2875.53   7.196     65
   1682.93   4.212    154
   1677.44   4.198    441
   1670.66   4.181    235
   1665.17   4.167    150
   1662.42   4.160    107
   1658.76   4.151     58
   1657.66   4.148     63
   1656.74   4.146     59
   1653.63   4.138     31
   1244.07   3.113     53
   1240.40   3.104     58
   1240.04   3.103     59
   1230.33   3.079     79
   1226.48   3.069     77
   1161.64   2.907     67
   1150.29   2.879     77
   1149.00   2.876     68
   1148.45   2.874     66
   1137.28   2.846     50
   1136.55   2.844     48

in DMSO-d6