35661-39-3

N-芴甲氧羰基-L-丙氨酸(35661-39-3)红外图谱(IR1)

分子式:C18H17NO4

分子量: 311.33

InChI:InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1

InChIKey: QWXZOFZKSQXPDC-NSHDSACASA-N

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

Mass

MS-IW-3610          
N-(9-fluorenylmethoxycarbonyl)-L-alanine
C18H17NO4           (Mass of molecular ion:    311)

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

      17.0       1.0
      18.0       5.0
      27.0       1.3
      28.0       8.4
      39.0       1.1
      42.0       2.8
      43.0       9.3
      44.0       2.1
      63.0       2.5
      69.5       1.5
      70.0       2.3
      74.0       1.1
      75.0       1.4
      76.0       2.2
      81.5       1.4
      82.0       1.2
      82.5       2.2
      87.0       1.6
      88.0       2.9
      89.0       2.9
     113.0       1.0
     115.0       4.3
     139.0       5.0
     150.0       1.0
     151.0       1.6
     152.0       2.5
     162.0       1.4
     163.0      11.7
     164.0      10.0
     165.0     100.0
     166.0      78.4
     167.0      11.1
     176.0       3.8
     177.0       3.0
     178.0      42.4
     179.0       8.4
     196.0      34.2
     197.0       5.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₇ N O₄	0.041 g : 0.5 ml DMSO-d₆
N-(9-fluorenylmethoxycarbonyl)-L-alanine

    Assign.     Shift(ppm)

      A            12.6
      B             7.900
      C     *1      7.748
      D     *1      7.737
      E             7.70
      F             7.43
      G             7.35
      J             4.303
      K             4.237
      L             4.033
      M             1.301
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3161.45   7.911    666
   3153.94   7.892    732
   3100.46   7.758    267
   3096.06   7.747    302
   3093.32   7.741    336
   3088.92   7.730    320
   3081.96   7.712    285
   3074.45   7.693    286
   3068.04   7.677     30
   2976.46   7.448    307
   2973.16   7.440     48
   2969.50   7.431    699
   2961.99   7.412    448
   2943.30   7.365    444
   2942.39   7.363    354
   2935.98   7.347    684
   2934.88   7.344    529
   2928.47   7.328    303
   2927.55   7.326    224
   1725.25   4.317    276
   1723.60   4.313    296
   1717.55   4.298    694
   1709.13   4.277     44
   1707.11   4.272     58
   1704.73   4.266     34
   1704.36   4.265     33
   1699.60   4.253    213
   1692.82   4.236    224
   1685.86   4.219    112
   1626.70   4.071     48
   1619.38   4.052    170
   1612.05   4.034    258
   1608.20   4.025     40
   1604.54   4.015    172
   1597.21   3.997     42
    524.04   1.312    952
    516.53   1.293   1000

in DMSO-d6