15027-13-1

N-苄氧羰基-DL-正亮氨酸(15027-13-1)核磁图(¹HNMR)

分子式:C14H19NO4

分子量: 265.3

InChI:InChI=1S/C14H19NO4/c1-2-3-9-12(13(16)17)15-14(18)19-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1

InChIKey: NMYWMOZOCYAHNC-LBPRGKRZSA-N

Smiles:C(O)(=O)[C@H](CCCC)NC(OCC1=CC=CC=C1)=O

Mass

MS-NW-2309          
N-benzyloxycarbonyl-DL-norleucine
C14H19NO4           (Mass of molecular ion:    265)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       2.9
      16.0       1.0
      17.0       3.3
      18.0      15.1
      26.0       4.1
      27.0      24.0
      28.0      30.7
      29.0      29.5
      30.0       5.3
      31.0       2.4
      37.0       2.4
      38.0       4.6
      39.0      23.8
      40.0       4.3
      41.0      42.0
      42.0      10.8
      43.0     100.0
      44.0      22.8
      45.0       1.4
      49.0       1.2
      50.0       9.6
      51.0      20.6
      52.0       7.2
      53.0       8.0
      53.5       1.1
      54.0      10.5
      55.0       9.8
      56.0      22.7
      57.0      18.0
      58.0       1.1
      61.0       1.5
      62.0       3.1
      63.0       6.8
      64.0       2.1
      65.0      18.7
      66.0       2.5
      67.0       4.0
      68.0       2.6
      69.0       6.9
      70.0       3.4
      71.0       1.1
      73.0       6.4
      74.0       5.8
      75.0       1.6
      76.0       1.7
      77.0      41.4
      78.0      11.2
      79.0      73.5
      80.0       8.7
      81.0       3.0
      82.0       4.1
      83.0       3.0
      84.0       5.3
      85.0       6.1
      86.0       4.5
      87.0       1.0
      89.0       7.6
      90.0       9.2
      91.0      96.2
      92.0      12.3
      93.0       1.6
      94.0       1.2
      95.0       1.5
      96.0       2.4
      98.0       1.8
     101.0      23.2
     102.0       1.0
     105.0       9.8
     106.0       8.2
     107.0      54.7
     108.0      97.6
     109.0       7.8
     111.0       1.4
     112.0      11.8
     113.0       1.5
     129.0       1.9
     130.0       4.4
     176.0       6.7
     177.0       1.0
     220.0       1.0
     265.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₉ N O₄	0.045 g : 0.5 ml CDCl₃
N-benzyloxycarbonyl-DL-norleucine

    Assign.     Shift(ppm)

      A            11.2
      B          7.35 to 7.32
      C             6.51
      C             5.37
      D          5.15 to 5.11
      E             4.401
      E             4.24
      F     *1      1.89
      G     *1      1.69
      J             1.34
      K             0.889
     
     MIXTURE OF ISOMERS DUE TO C-N RESTRICTED ROTATION

     Hz     ppm     Int.

   4484.28  11.221     37
   2945.87   7.372     75
   2945.50   7.371     75
   2945.13   7.370     75
   2940.01   7.357    400
   2935.79   7.346   1000
   2928.65   7.329    312
   2925.90   7.322    318
   2920.41   7.308    137
   2918.03   7.302     98
   2912.71   7.289     30
   2912.16   7.287     30
   2151.11   5.383    110
   2142.68   5.362    113
   2057.33   5.148    155
   2053.11   5.138     52
   2052.75   5.137     51
   2051.83   5.135     48
   2051.28   5.133     49
   2050.73   5.132     49
   2045.05   5.118    425
   2042.49   5.111    341
   2030.22   5.080     37
   1769.57   4.428     42
   1764.26   4.415     57
   1761.70   4.409     82
   1758.76   4.401     45
   1756.57   4.396     81
   1753.82   4.389     59
   1748.51   4.376     41
    362.49   0.908    192
    355.71   0.891    403
    348.75   0.873    219
    340.32   0.852     55

in CDCl3