71989-23-6

Fmoc-L-异亮氨酸(71989-23-6)核磁图(¹³CNMR)

CAS:71989-23-6

分子式:C21H23NO4

分子量: 353.41

InChI:InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1

InChIKey: QXVFEIPAZSXRGM-DJJJIMSYSA-N

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

Mass

MS-IW-2647          
N-((9-fluorenyl)methoxycarbonyl)-L-isoleucine
C21H23NO4           (Mass of molecular ion:    353)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       2.3
      18.0      12.0
      27.0       3.3
      28.0       6.5
      29.0      15.2
      30.0       1.3
      39.0       4.2
      41.0      15.8
      42.0       1.3
      43.0       1.9
      44.0       2.3
      51.0       1.2
      55.0       2.6
      56.0       2.1
      57.0      21.0
      58.0       1.0
      62.0       1.0
      63.0       2.7
      69.0       1.7
      69.5       1.5
      70.0       1.6
      73.0       4.3
      74.0       2.3
      75.0       2.5
      76.0       2.4
      81.5       1.2
      82.0       1.3
      82.5       2.0
      83.0       4.1
      86.0       2.2
      87.0       1.7
      88.0       2.4
      89.0       2.8
     101.0      50.7
     102.0       2.3
     113.0       1.1
     115.0       3.0
     139.0       5.3
     150.0       1.3
     151.0       2.2
     152.0       3.2
     162.0       1.4
     163.0      11.2
     164.0      10.2
     165.0     100.0
     166.0      74.9
     167.0      10.6
     176.0       4.7
     177.0       3.9
     178.0      65.9
     179.0      13.8
     180.0       1.6
     196.0      30.8
     197.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₂₃ N O₄	0.044 g : 0.5 ml CDCl₃
N-((9-fluorenyl)methoxycarbonyl)-L-isoleucine

    Assign.     Shift(ppm)

      A            10.7
      B             7.74
      C             7.58
      D             7.53
      E             7.38
      F             7.30
      G             6.31
      J             5.353
      K             4.49
      L             4.41
      M             4.39
      N             4.216
      P             4.04
      Q             1.96
      R             1.79
      S     *1      1.45
      T     *1      1.20
      U             0.967
      V             0.930
      W             0.87

     Hz     ppm     Int.

   3099.36   7.756    589
   3091.85   7.737    759
   3036.72   7.599    336
   3034.15   7.593    368
   3029.57   7.581    420
   3027.01   7.575    411
   3020.60   7.559     82
   3020.23   7.558     82
   3014.19   7.543    130
   3007.41   7.526    121
   2957.77   7.401    269
   2950.26   7.383    639
   2942.94   7.364    472
   2923.70   7.316    429
   2916.38   7.298    701
   2909.05   7.279    375
   2523.67   6.315     49
   2515.98   6.296     50
   2515.61   6.295     50
   2515.06   6.294     50
   2144.15   5.366    243
   2139.75   5.355     74
   2135.17   5.343    256
   1797.41   4.498    103
   1797.05   4.497    102
   1796.50   4.496    100
   1791.92   4.484    120
   1784.41   4.465     39
   1783.31   4.463     37
   1782.94   4.462     36
   1782.39   4.460     35
   1777.08   4.447     36
   1776.35   4.445     37
   1775.80   4.444     38
   1765.91   4.419    650
   1758.95   4.402    860
   1750.71   4.381    203
   1692.28   4.235    176
   1685.13   4.217    322
   1678.17   4.200    192
   1670.30   4.180     41
   1616.63   4.046     48
    779.19   1.950    121
    714.90   1.789     35
    602.43   1.508     58
    597.31   1.495     82
    594.92   1.489     89
    589.43   1.475    122
    589.06   1.474    122
    583.75   1.461    108
    583.39   1.460    107
    581.74   1.456    112
    576.79   1.444     94
    571.48   1.430     49
    569.65   1.426     55
    569.28   1.425     54
    566.90   1.419     41
    565.25   1.415     35
    564.89   1.414     35
    564.34   1.413     35
    562.87   1.409     35
    561.41   1.405     37
    561.04   1.404     36
    560.67   1.403     36
    560.31   1.403     36
    559.76   1.401     35
    496.38   1.243     76
    493.27   1.235     49
    488.69   1.223    124
    487.59   1.221    123
    481.73   1.206    143
    481.36   1.205    143
    481.00   1.204    143
    480.08   1.202    142
    479.71   1.201    142
    479.35   1.200    141
    475.13   1.189    125
    474.03   1.187    126
    473.67   1.186    126
    466.52   1.168     93
    461.76   1.156     35
    459.38   1.150     40
    459.02   1.149     40
    390.33   0.977    907
    383.37   0.960    952
    379.15   0.949    650
    371.83   0.931   1000
    364.50   0.913    496
    358.46   0.897    137
    351.13   0.879    293
    350.76   0.878    293
    347.47   0.870    275
    344.35   0.862    299
    336.84   0.843    112
    336.48   0.842    112
    336.11   0.842    111
    335.74   0.841    110

in CDCl3