35737-15-6

Fmoc-L-色氨酸(35737-15-6)红外图谱(IR1)

分子式:C26H22N2O4

分子量: 426.46

InChI:InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m0/s1

InChIKey: MGHMWKZOLAAOTD-DEOSSOPVSA-N

Smiles:C(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Mass

MS-IW-3615          
N(alpha)-(9-fluorenylmethoxycarbonyl)-L-tryptophane
C26H22N2O4          (Mass of molecular ion:    426)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.7
      28.0       3.5
      31.0       1.1
      39.0       1.6
      43.0       3.6
      44.0       2.4
      50.0       1.3
      51.0       2.7
      52.0       1.0
      57.0       1.3
      58.0       1.0
      62.0       1.3
      63.0       3.2
      65.0       1.1
      69.5       1.2
      74.0       1.6
      75.0       2.2
      76.0       2.9
      77.0       7.3
      78.0       1.0
      81.5       1.0
      82.5       1.5
      87.0       1.5
      88.0       3.1
      89.0       2.4
     102.0       3.3
     103.0       5.8
     115.0       3.2
     128.0       2.1
     129.0       3.5
     130.0     100.0
     131.0      10.6
     139.0       3.8
     151.0       1.1
     152.0       1.6
     162.0       1.0
     163.0       8.3
     164.0       7.3
     165.0      70.6
     166.0      52.3
     167.0       7.5
     176.0       2.5
     177.0       1.8
     178.0      12.8
     179.0       2.4
     196.0      22.1
     197.0       3.4
     230.0       9.4
     231.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₆ H₂₂ N₂ O₄	0.050 g : 0.5 ml DMSO-d₆
N(alpha)-(9-fluorenylmethoxycarbonyl)-L-tryptophane

    Assign.     Shift(ppm)

      A            10.89
      B             7.875
      C             7.74
      D     *1      7.692
      E     *1      7.668
      F             7.605
      G     *2      7.42
      J     *2      7.40
      K             7.385
      L     *3      7.328
      M     *3      7.287
      N             7.221
      P             7.099
      R             7.018
      S             4.30
      T             4.23
      U             4.20
      V     *4      3.251
      W     *4      3.080
     
     ASSIGNED BY H-H COSY AND ADDITION OF D2O.
     J(A,N)=2.1HZ
     J(C,S)=8.2HZ
     J(D,L)=7.5HZ
     J(E,M)=7.6HZ
     J(F,R)=7.8HZ
     J(S,V)=4.4HZ
     J(S,W)=9.9HZ
     J(V,W)=-14.8HZ

     Hz     ppm     Int.

   4352.57  10.891    396
   3151.55   7.886    707
   3143.92   7.867    779
   3096.01   7.747    404
   3087.77   7.727    430
   3083.04   7.715     61
   3078.31   7.703    401
   3070.83   7.684    486
   3068.24   7.678    465
   3060.61   7.659    447
   3043.52   7.616    416
   3035.74   7.596    422
   2972.11   7.437    205
   2965.39   7.420    505
   2964.78   7.419    505
   2959.29   7.405    567
   2955.63   7.396    625
   2952.58   7.388    371
   2951.97   7.387    370
   2947.39   7.375    588
   2942.20   7.362     85
   2941.89   7.362     85
   2939.15   7.355     61
   2936.55   7.348    272
   2935.49   7.346    299
   2929.08   7.330    404
   2928.01   7.327    437
   2923.74   7.316     69
   2920.07   7.307    370
   2919.01   7.304    318
   2915.50   7.296     73
   2912.45   7.288    423
   2911.53   7.286    461
   2904.97   7.269    205
   2904.05   7.267    218
   2887.27   7.225    635
   2885.13   7.220    636
   2877.66   7.201     62
   2875.98   7.197     53
   2874.91   7.194     50
   2845.92   7.122    211
   2845.00   7.119    222
   2842.25   7.112     64
   2837.98   7.102    414
   2833.40   7.090     62
   2830.81   7.084    257
   2829.90   7.081    262
   2811.58   7.036    275
   2810.82   7.034    295
   2803.80   7.016    415
   2799.07   7.004     50
   2796.78   6.999    185
   2796.02   6.997    193
   1728.67   4.326    119
   1724.24   4.315    136
   1719.21   4.302    201
   1715.85   4.294    191
   1714.78   4.291    185
   1710.97   4.282    161
   1706.24   4.270    144
   1697.69   4.248    248
   1694.49   4.240    336
   1689.15   4.227   1000
   1682.28   4.210    451
   1679.69   4.203    273
   1676.94   4.197    230
   1674.19   4.190    170
   1668.70   4.176    100
   1392.21   3.484     72
   1310.27   3.279    176
   1305.85   3.268    211
   1300.05   3.253     69
   1295.62   3.242    262
   1291.20   3.231    255
   1242.52   3.110    214
   1237.03   3.096     48
   1232.60   3.085    222
   1227.72   3.072    183
   1218.11   3.048    168

in DMSO-d6