1999-41-3

NΑ-DL-丙氨酰基-DL-天冬酰胺酸(1999-41-3)核磁图(¹HNMR)

产品名称:NΑ-DL-丙氨酰基-DL-天冬酰胺酸

CAS:1999-41-3

分子式:C7H13N3O4

分子量: 203.2

InChI:InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1

InChIKey: CCUAQNUWXLYFRA-IMJSIDKUSA-N

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

Mass

MS-NW-2369          
DL-alanyl-DL-asparagine
C7H13N3O4 H2O       (Mass of molecular ion:    203)

   Source Temperature: 240 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       5.9
      16.0       8.1
      17.0      10.7
      18.0      33.9
      26.0       2.8
      27.0      10.0
      28.0      22.2
      29.0       1.8
      30.0       1.9
      39.0       1.2
      40.0       3.2
      41.0       7.0
      42.0      17.7
      43.0      14.8
      44.0     100.0
      45.0       3.8
      52.0       1.1
      53.0       1.5
      54.0       4.5
      55.0      13.5
      56.0       6.4
      57.0       3.1
      59.0      12.3
      60.0       2.3
      68.0       1.7
      69.0       5.6
      70.0      14.2
      71.0       6.2
      72.0       1.9
      81.0       2.5
      82.0       1.1
      83.0       1.1
      84.0       1.2
      85.0       1.8
      86.0       1.5
      87.0       5.4
      88.0       3.9
      95.0       1.1
      96.0       2.1
      97.0       7.9
      98.0       4.5
      99.0       8.0
     100.0       1.8
     112.0       3.2
     113.0       3.7
     114.0       1.0
     115.0       1.0
     123.0       1.1
     124.0       8.5
     125.0       3.2
     126.0      12.3
     127.0       8.9
     128.0       1.0
     140.0      13.7
     141.0       3.1
     142.0       1.5
     157.0       1.0
     167.0       2.3
     168.0      17.6
     169.0       2.0
     185.0       9.0
     186.0       4.9

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₃ N₃ O₄	0.034 g : 0.5 ml D₂O
DL-alanyl-DL-asparagine

    Assign.     Shift(ppm)

      A             4.590
      B             4.115
      C     *1      2.860
      D     *1      2.645
      E             1.515
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1841.43   4.608    127
   1837.16   4.597    139
   1831.79   4.584    146
   1827.39   4.573    127
   1655.40   4.143     66
   1648.32   4.125    208
   1641.24   4.107    213
   1634.16   4.089     70
   1154.05   2.888    152
   1152.10   2.883     33
   1149.78   2.877    159
   1138.92   2.850    221
   1134.64   2.840    200
   1068.48   2.674    216
   1058.72   2.650    211
   1053.34   2.636    158
   1043.58   2.612    154
    609.25   1.525   1000
    602.17   1.507    961

in D2O