71989-20-3

Fmoc-L-谷氨酰胺(71989-20-3)红外图谱(IR2)

CAS:71989-20-3

分子式:C20H20N2O5

分子量: 368.38

InChI:InChI=1S/C20H20N2O5/c21-18(23)10-9-17(19(24)25)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,23)(H,22,26)(H,24,25)/t17-/m0/s1

InChIKey: IZKGGDFLLNVXNZ-KRWDZBQOSA-N

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

Mass

MS-IW-3613          
N(2)-(9-fluorenylmethoxycarbonyl)-L-glutamine
C20H20N2O5          (Mass of molecular ion:    368)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.6
      27.0       1.9
      28.0       6.2
      29.0       2.1
      30.0       1.2
      31.0       2.7
      39.0       1.8
      41.0       2.5
      42.0       1.9
      43.0       2.2
      44.0      10.8
      45.0       2.0
      51.0       1.1
      54.0       1.0
      55.0       2.2
      56.0       4.7
      57.0       2.2
      59.0      15.8
      62.0       1.1
      63.0       3.3
      69.5       1.4
      72.0       2.2
      73.0       3.2
      74.0       2.0
      75.0       2.4
      76.0       4.7
      81.5       1.3
      82.0       2.2
      82.5       2.2
      83.0       3.7
      84.0       6.0
      86.0       1.2
      87.0       2.3
      88.0       5.2
      89.0       5.0
      98.0       1.1
      99.0       1.0
     100.0       3.9
     101.0       2.5
     111.0       1.1
     113.0       1.1
     115.0       3.2
     126.0       1.8
     127.0       1.0
     128.0       1.5
     139.0       5.2
     150.0       2.2
     151.0       3.5
     152.0       4.6
     155.0       1.2
     162.0       1.5
     163.0      11.6
     164.0      10.2
     165.0     100.0
     166.0      76.4
     167.0      10.5
     175.0       1.3
     176.0       8.5
     177.0       6.2
     178.0      84.5
     179.0      16.1
     180.0       1.6
     196.0      32.1
     197.0       5.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₂₀ N₂ O₅	0.040 g : 0.5 ml DMSO-d₆
N(2)-(9-fluorenylmethoxycarbonyl)-L-glutamine

    Assign.     Shift(ppm)

      A            12.7
      B             7.902
      C             7.750
      D             7.72
      E             7.429
      F             7.35
      G             6.83
      J             4.28
      K             4.25
      L             3.989
      M             2.20
      N     *1      2.022
      P     *1      1.808

     Hz     ppm     Int.

   5059.79  12.661     77
   3162.19   7.913    899
   3154.68   7.894    969
   3101.56   7.761    681
   3094.05   7.742    762
   3088.00   7.727    409
   3079.94   7.707    404
   3062.18   7.663     44
   3061.81   7.662     44
   3061.44   7.661     44
   3060.71   7.659     45
   3060.35   7.658     45
   3059.98   7.657     45
   3059.61   7.656     45
   3056.87   7.649     47
   3056.13   7.648     47
   3054.30   7.643     43
   2977.37   7.450    440
   2970.04   7.432    981
   2962.53   7.413    619
   2955.39   7.395     35
   2945.50   7.371    621
   2944.58   7.368    552
   2937.99   7.352   1000
   2937.07   7.350    923
   2931.76   7.336    471
   2930.66   7.334    562
   2921.69   7.311     57
   2746.03   6.872     38
   2744.93   6.869     39
   2744.20   6.867     39
   2743.83   6.866     39
   2743.47   6.865     39
   2743.10   6.864     39
   2742.74   6.863     39
   2742.19   6.862     38
   2741.82   6.861     38
   2741.45   6.860     39
   2740.90   6.859     39
   2740.54   6.858     40
   2729.91   6.831    297
   1731.84   4.334     44
   1721.95   4.309    287
   1717.92   4.299    346
   1713.89   4.289    609
   1712.24   4.285    609
   1701.80   4.259    476
   1694.84   4.241    278
   1687.88   4.224    136
   1683.67   4.213     59
   1682.93   4.212     57
   1682.57   4.211     57
   1682.20   4.210     57
   1679.09   4.202     42
   1606.00   4.019    106
   1601.24   4.007    133
   1596.85   3.996    189
   1592.82   3.986    176
   1592.27   3.985    176
   1588.60   3.975    136
   1583.84   3.964    109
    901.36   2.256     30
    900.63   2.254     30
    900.08   2.253     30
    888.36   2.223    311
    880.66   2.204    652
    873.15   2.185    386
    824.62   2.064     63
    824.25   2.063     63
    822.42   2.058     49
    819.49   2.051     83
    816.74   2.044    105
    811.24   2.030    155
    805.93   2.017    109
    803.19   2.010    164
    798.24   1.998    122
    790.36   1.978     46
    740.36   1.853     56
    739.99   1.852     56
    732.67   1.834    113
    725.71   1.816    122
    723.87   1.812    141
    719.11   1.800    127
    716.73   1.794    116
    709.77   1.776    106
    704.82   1.764     31
    702.26   1.758     44

in DMSO-d6