2280-01-5

N-乙?；?D-色氨酸(2280-01-5)核磁圖(¹HNMR)

分子式:C13H14N2O3

分子量: 246.26

InChI:InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1

InChIKey: DZTHIGRZJZPRDV-GFCCVEGCSA-N

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

Mass

MS-NW-2380          
N(alpha)-acetyl-D-tryptophan
C13H14N2O3          (Mass of molecular ion:    246)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.5
      18.0       7.7
      28.0       1.9
      43.0       5.4
      44.0       1.3
      51.0       1.2
      77.0       5.3
     102.0       2.3
     103.0       4.3
     115.0       1.3
     117.0       3.1
     128.0       1.4
     129.0       3.6
     130.0     100.0
     131.0      10.7
     132.0       1.2
     143.0       1.0
     158.0       1.6
     159.0       1.8
     170.0       1.2
     187.0      15.8
     188.0       1.9
     228.0       1.4
     246.0       5.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₄ N₂ O₃	0.041 g : 0.5 ml DMSO-d₆
N(alpha)-acetyl-D-tryptophan

    Assign.     Shift(ppm)

      A            12.6
      B            10.85
      C             8.18
      D             7.541
      E             7.344
      F             7.152
      G             7.072
      J             6.994
      K             4.479
      L     *1      3.172
      M     *1      3.006
      N             1.814
     
     J(A,F)=2.4HZ
     J(C,K)=8.2HZ
     J(D,J)=7.9HZ
     J(D,G)=1.1HZ
     J(E,G)=8.1HZ
     J(E,J)=0.9HZ
     J(K,L)=5.0HZ
     J(K,M)=8.8HZ
     J(L,M)=-14.7HZ

     Hz     ppm     Int.

   4335.55  10.849     95
   4334.27  10.846     96
   3271.90   8.187    106
   3264.03   8.168    108
   3017.85   7.552    108
   3009.98   7.532    116
   2939.46   7.356    129
   2931.40   7.335    151
   2859.78   7.156    157
   2857.40   7.150    159
   2834.68   7.093     54
   2833.59   7.091     61
   2827.72   7.076     90
   2826.63   7.073    117
   2819.67   7.056     74
   2818.57   7.053     76
   2802.26   7.012     81
   2801.35   7.010     90
   2794.39   6.993    125
   2793.47   6.990    105
   2787.43   6.975     56
   2786.51   6.973     56
   1801.08   4.507     34
   1795.95   4.494     45
   1792.47   4.486     66
   1787.71   4.474     62
   1784.59   4.466     48
   1779.46   4.453     35
   1278.87   3.200     48
   1273.92   3.188     50
   1264.22   3.164     72
   1259.27   3.151     66
   1211.83   3.033     69
   1203.04   3.011     69
   1197.18   2.996     51
   1188.38   2.974     47
    724.97   1.815   1000

in DMSO-d6