71989-28-1

Fmoc-L-蛋氨酸(71989-28-1)核磁图(¹³CNMR)

CAS:71989-28-1

分子式:C20H21NO4S

分子量: 371.45

InChI:InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

InChIKey: BUBGAUHBELNDEW-SFHVURJKSA-N

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

Mass

MS-IW-2649          
N-((9-fluorenyl)methoxycarbonyl)-L-methionine
C20H21NO4S          (Mass of molecular ion:    371)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       3.6
      27.0       1.9
      28.0       4.4
      39.0       1.7
      41.0       3.3
      44.0       1.7
      45.0       3.0
      46.0       1.7
      47.0       4.5
      48.0       2.2
      49.0       1.2
      54.0       2.1
      55.0       1.8
      56.0       5.5
      57.0       1.0
      59.0       1.2
      61.0      10.7
      62.0       5.1
      63.0       2.9
      69.5       1.3
      73.0       1.0
      74.0       2.9
      75.0      12.8
      76.0       2.5
      77.0       1.0
      81.5       1.1
      82.0       2.0
      82.5       1.9
      83.0       1.6
      84.0       2.3
      85.0       1.1
      86.0       2.1
      87.0       3.0
      88.0       3.1
      89.0       2.4
      99.0       1.1
     100.0       2.5
     101.0       3.3
     102.0       1.3
     114.0       2.9
     115.0       3.3
     127.0       1.9
     129.0      12.3
     139.0       5.0
     150.0       1.1
     151.0       1.8
     152.0       2.6
     157.0       2.0
     162.0       1.4
     163.0      11.2
     164.0      10.2
     165.0     100.0
     166.0      77.4
     167.0      10.8
     175.0      13.2
     176.0       4.8
     177.0       3.6
     178.0      37.0
     179.0       7.8
     180.0       1.0
     196.0      32.6
     197.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₂₁ N O₄ S	0.044 g : 0.5 ml CDCl₃
N-((9-fluorenyl)methoxycarbonyl)-L-methionine

    Assign.     Shift(ppm)

      A             9.37
      B             7.740
      C             7.58
      D             7.54
      E             7.378
      F             7.296
      G             6.59
      J             5.538
      K             4.51
      L             4.416
      M             4.207
      N             2.54
      P             2.42
      Q     *1      2.19
      R             2.075
      S             2.027
      T     *1      1.99
      U     *1      1.87

     Hz     ppm     Int.

   3737.49   9.352     34
   3097.23   7.750    638
   3090.06   7.732    697
   3033.29   7.590    194
   3029.63   7.581    239
   3029.33   7.580    239
   3026.12   7.572    269
   3022.46   7.563    266
   3014.37   7.543    105
   2956.85   7.399    281
   2949.37   7.380    621
   2941.89   7.362    384
   2923.13   7.315    336
   2922.06   7.312    511
   2915.65   7.296    510
   2914.58   7.293    747
   2908.33   7.278    225
   2907.10   7.275    305
   2901.92   7.262     32
   2901.00   7.259     31
   2900.70   7.259     31
   2639.77   6.606     34
   2639.31   6.605     35
   2638.55   6.603     36
   2637.79   6.601     35
   2637.33   6.600     34
   2635.96   6.596     31
   2635.19   6.594     30
   2634.89   6.593     30
   2634.12   6.592     31
   2633.06   6.589     34
   2632.14   6.587     36
   2631.68   6.585     37
   2630.92   6.584     35
   2217.41   5.549    143
   2209.17   5.528    147
   1820.37   4.555     53
   1815.49   4.543     78
   1812.44   4.536    110
   1807.56   4.523    121
   1804.20   4.515    113
   1803.13   4.512    112
   1799.93   4.504    127
   1797.18   4.497    104
   1796.26   4.495    105
   1795.81   4.494    105
   1786.35   4.470     35
   1785.28   4.468     35
   1784.82   4.466     35
   1784.36   4.465     35
   1783.91   4.464     35
   1782.99   4.462     34
   1781.77   4.459     33
   1781.16   4.457     33
   1780.70   4.456     34
   1779.94   4.454     35
   1778.87   4.452     36
   1768.65   4.426    310
   1761.78   4.409    356
   1687.01   4.222    227
   1680.45   4.205    324
   1673.58   4.188    129
   1022.80   2.560    137
   1020.36   2.554    112
   1015.47   2.541    261
   1008.30   2.523    165
   1000.52   2.504     32
    966.95   2.420     67
    889.74   2.227     39
    888.52   2.224     45
    887.76   2.222     47
    887.15   2.220     46
    886.08   2.218     41
    885.31   2.216     40
    881.50   2.206     67
    873.87   2.187     75
    868.53   2.174     62
    860.75   2.154     30
    829.32   2.076   1000
    820.77   2.054    116
    819.70   2.052    115
    810.24   2.028    262
    798.65   1.999    124
    795.29   1.990     79
    791.63   1.981    107
    787.81   1.972     61
    784.61   1.964     72
    779.88   1.952     32
    779.42   1.951     31
    777.74   1.947     33
    777.28   1.945     32
    776.82   1.944     31

in CDCl3