7682-16-8

N-乙酰基-DL-正亮氨酸(7682-16-8)核磁图(¹³CNMR)

产品名称:N-乙酰基-DL-正亮氨酸

CAS:7682-16-8

分子式:C8H15NO3

分子量: 173.21

InChI:InChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1

InChIKey: JDMCEGLQFSOMQH-ZETCQYMHSA-N

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

Mass

MS-NW-2295          
N-acetyl-DL-norleucine
C8H15NO3            (Mass of molecular ion:    173)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       2.5
      15.0       6.6
      17.0       3.8
      18.0      17.2
      26.0       2.7
      27.0      13.9
      28.0      13.1
      29.0      10.4
      30.0      23.8
      38.0       2.2
      39.0      12.3
      40.0       8.7
      41.0      29.0
      42.0      12.6
      43.0      58.3
      44.0      13.7
      45.0       1.6
      46.0       1.2
      51.0       1.5
      52.0       1.2
      53.0       7.0
      54.0       3.5
      55.0       6.9
      56.0      13.8
      57.0       7.3
      58.0       1.4
      60.0      12.3
      65.0       1.1
      66.0       1.2
      67.0       4.9
      68.0       5.8
      69.0       6.0
      70.0       3.7
      71.0       2.4
      72.0       1.6
      73.0       3.3
      74.0      19.1
      75.0       3.0
      80.0       1.7
      81.0       4.8
      82.0       1.3
      83.0       1.0
      84.0       5.8
      85.0      10.7
      86.0     100.0
      87.0       6.8
      88.0       3.8
      94.0       1.4
      95.0       1.1
      96.0       6.0
      97.0       1.0
      98.0       2.2
      99.0      17.2
     100.0       1.3
     102.0       1.5
     109.0       1.1
     112.0       3.0
     113.0       2.2
     114.0       1.6
     117.0      16.0
     118.0       1.0
     127.0       1.8
     128.0      27.5
     129.0       4.4
     130.0       3.3
     131.0       1.2
     155.0       2.0
     173.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₅ N O₃	0.037 g : 0.5 ml DMSO-d₆
N-acetyl-DL-norleucine

    Assign.     Shift(ppm)

      A             8.09
      B             4.143
      D             1.847
      E     *1      1.666
      F     *1      1.561
      G          1.25 to 1.31
      J             0.863
     
     J(A,B) = 7.6 HZ

     Hz     ppm     Int.

   3237.67   8.102     60
   3229.98   8.083     60
   1661.74   4.158     36
   1657.96   4.149     48
   1653.81   4.139     44
   1652.95   4.136     42
   1650.15   4.129     38
    738.28   1.848   1000
    517.46   1.295     71
    514.16   1.287    102
    513.43   1.285    103
    510.62   1.278    146
    507.81   1.271    112
    506.35   1.267     96
    503.54   1.260     74
    351.44   0.880     91
    344.48   0.862    249
    337.28   0.844     73

in DMSO-d6