71989-16-7

Fmoc-L-天冬酰胺(71989-16-7)红外图谱(IR1)

CAS:71989-16-7

分子式:C19H18N2O5

分子量: 354.36

InChI:InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1

InChIKey: YUGBZNJSGOBFOV-INIZCTEOSA-N

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

Mass

MS-IW-3608          
N(2)-(9-fluorenylmethoxycarbonyl)-L-asparagine
C19H18N2O5          (Mass of molecular ion:    354)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       1.6
      28.0       1.6
      42.0       1.5
      43.0       2.1
      44.0       3.5
      59.0       1.1
      63.0       1.3
      70.0       1.1
      75.0       1.1
      76.0       3.1
      86.0       1.0
      87.0       1.3
      88.0       2.8
      89.0       4.6
      89.5       1.2
     115.0       1.2
     139.0       1.8
     150.0       1.1
     151.0       2.1
     152.0       3.0
     163.0       3.9
     164.0       3.5
     165.0      33.7
     166.0      20.0
     167.0       2.8
     176.0       5.3
     177.0       4.2
     178.0     100.0
     179.0      18.7
     180.0       1.8
     196.0       7.5
     197.0       1.2
     337.0       3.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₈ N₂ O₅	0.033 g : 0.5 ml DMSO-d₆
N(2)-(9-fluorenylmethoxycarbonyl)-L-asparagine

    Assign.     Shift(ppm)

      A            12.7
      B             7.899
      C             7.727
      D             7.577
      E             7.425
      F     *1      7.40
      G             7.345
      J     *1      6.97
      K             4.378
      L             4.29
      M             4.24
      P     *2      2.60
      Q     *2      2.50
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   3160.81   7.909    566
   3153.34   7.891    614
   3092.22   7.738    386
   3084.96   7.720    455
   3032.60   7.589    220
   3024.27   7.568    228
   2975.98   7.447    259
   2968.71   7.429    576
   2961.02   7.410    421
   2956.11   7.397    246
   2942.22   7.362    300
   2934.74   7.344    437
   2927.47   7.326    198
   2786.01   6.972    205
   1760.76   4.406     63
   1755.41   4.393     91
   1752.85   4.386    142
   1747.51   4.373    142
   1744.94   4.367    104
   1739.39   4.353     73
   1718.87   4.301    240
   1712.68   4.286    551
   1700.28   4.255    225
   1694.09   4.239    214
   1686.39   4.220     92
   1051.11   2.631    103
   1048.33   2.624     32
   1045.98   2.618    114
   1035.73   2.592    215
   1030.38   2.579    194
   1002.39   2.509   1000
    992.78   2.485    129
    984.87   2.465     95

in DMSO-d6