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返回ChemicalBook首页>CAS数据库列表>7682-16-8更多图谱> N-乙酰基-DL-正亮氨酸(7682-16-8)核磁图(13CNMR)

7682-16-8

N-乙酰基-DL-正亮氨酸(7682-16-8)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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