2817-13-2

Z-LEU-ALA-OH(2817-13-2)核磁图(¹HNMR)

分子式:C17H24N2O5

分子量: 336.38

InChI:InChI=1S/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t12-,14-/m0/s1

InChIKey: CWMXJBNCYBDNTJ-JSGCOSHPSA-N

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

Mass

MS-NW-2347          
N-benzyloxycarbonyl-L-leucyl-L-alanine
C17H24N2O5          (Mass of molecular ion:    336)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       8.6
      17.0       1.7
      18.0       7.6
      26.0       3.6
      27.0      29.2
      28.0      27.9
      29.0      17.7
      30.0      21.3
      31.0       4.1
      37.0       2.1
      38.0       4.2
      39.0      22.5
      40.0       4.5
      41.0      35.0
      42.0      22.2
      43.0      57.5
      44.0      73.2
      45.0       5.9
      49.0       1.2
      50.0       9.6
      51.0      21.9
      52.0       7.6
      53.0       7.8
      53.5       1.2
      54.0       3.9
      55.0      13.3
      56.0       4.9
      57.0      10.8
      61.0       1.2
      62.0       2.5
      63.0       6.3
      64.0       1.6
      65.0      10.6
      66.0       1.4
      67.0       1.7
      68.0       4.4
      69.0       8.3
      70.0      42.5
      71.0       3.8
      72.0       1.1
      73.0       1.4
      74.0       6.5
      75.0       1.7
      76.0       1.5
      77.0      47.2
      78.0      11.9
      79.0     100.0
      80.0      10.6
      81.0       1.9
      82.0       2.7
      83.0       2.8
      84.0       3.8
      85.0       1.3
      86.0      46.9
      87.0       3.2
      88.0      10.7
      89.0       6.5
      90.0       8.8
      91.0      59.2
      92.0       7.2
      96.0       2.7
      97.0       2.1
      98.0       7.9
      99.0       6.7
     100.0       7.0
     105.0       3.9
     106.0       1.9
     107.0      60.0
     108.0      84.0
     109.0       6.8
     110.0       1.1
     112.0       8.4
     113.0       7.7
     116.0       1.7
     125.0       1.3
     126.0      88.0
     127.0       6.6
     128.0       2.7
     139.0       9.0
     140.0       2.6
     141.0       4.5
     154.0      18.1
     155.0      52.5
     156.0       5.6
     167.0       5.6
     168.0       1.0
     171.0       4.8
     172.0      89.0
     173.0       6.9
     174.0       1.0
     176.0       7.9
     177.0       1.1
     180.0       2.8
     181.0       1.3
     182.0       7.5
     183.0      52.2
     184.0      12.7
     185.0       2.7
     220.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₂₄ N₂ O₅	0.048 g : 0.5 ml CDCl₃
N-benzyloxycarbonyl-L-leucyl-L-alanine

    Assign.     Shift(ppm)

      A            10.2
      B             7.31
      C     *1      7.08
      D     *1      5.83
      E             5.086
      F             4.53
      G             4.30
      J          1.95 to 1.22
      K             1.382
      L             0.90

     Hz     ppm     Int.

    910.89  10.171     57
    910.46  10.166     57
    654.28   7.306   1000
    455.53   5.087    228
    405.88   4.532     42
    144.41   1.613     74
    143.73   1.605     73
    143.38   1.601     72
    142.96   1.597     72
    142.44   1.591     67
    141.50   1.580     63
    141.08   1.576     62
    140.39   1.568     64
    139.97   1.563     65
    139.37   1.557     66
    138.60   1.548     65
    135.01   1.508     39
    127.15   1.420    149
    123.39   1.378     46
    120.06   1.341    137
     82.12   0.917    241
     77.93   0.871    216

KBr disc