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24629-25-2

L-异亮氨醇(24629-25-2)核磁图(13CNMR)

产品名称:L-异亮氨醇

CAS:24629-25-2

分子式:C6H15NO

分子量: 117.19

InChI:InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1

InChIKey: VTQHAQXFSHDMHT-NTSWFWBYSA-N

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

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    Mass

    MS-NW-5638          
    L-2-amino-3-methyl-1-pentanol
    C6H15NO             (Mass of molecular ion:    117)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.6
          17.0       1.8
          18.0       9.4
          27.0       7.6
          28.0      11.5
          29.0      10.7
          30.0      40.6
          31.0       4.1
          39.0       5.6
          41.0      22.7
          42.0      23.3
          43.0       6.0
          44.0      16.4
          45.0       1.2
          53.0       1.9
          54.0       2.5
          55.0       6.4
          56.0       9.6
          57.0       8.1
          58.0       5.7
          59.0       2.0
          60.0     100.0
          61.0       2.9
          67.0       1.2
          68.0       1.8
          69.0      17.7
          70.0       6.4
          71.0       3.6
          72.0       2.7
          74.0      11.2
          83.0       1.1
          84.0       3.7
          85.0       2.4
          86.0      78.3
          87.0       5.0
          98.0       1.5
         100.0       9.7
         126.0       1.3
         128.0       3.7
         154.0       1.7
         168.0       1.1
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H15 N O 0.043 g : 0.5 ml CDCl3
    L-2-amino-3-methyl-1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.63 B *1 3.32 C 2.66 D 2.24 E 1.60 to 1.16 F 0.90 G 0.89 400MHZ. : HSP-40-450

         Hz     ppm     Int.
    

        334.44   3.735     44
        333.63   3.726     44
        331.19   3.698     47
        330.88   3.695     46
        330.38   3.689     47
        329.81   3.683     45
        324.00   3.618     73
        322.81   3.605     66
        321.25   3.587     77
        320.75   3.582     76
        320.44   3.578     78
        319.94   3.573     77
        318.56   3.557     51
        305.38   3.410    208
        296.88   3.315    268
        294.94   3.294    109
        286.31   3.197    154
        247.31   2.762     49
        243.50   2.719     61
        242.81   2.712     64
        242.31   2.706     69
        241.94   2.702     69
        241.56   2.698     72
        240.63   2.687     48
        239.56   2.675     52
        238.50   2.664     68
        237.75   2.655     67
        235.00   2.624     54
        234.38   2.618     57
        233.25   2.605     58
        200.81   2.243    305
        145.50   1.625     53
        145.19   1.622     54
        138.06   1.542     74
        137.13   1.532     65
        136.50   1.525     63
        135.88   1.518     59
        134.69   1.504     54
        134.13   1.498     61
        133.56   1.492     59
        132.50   1.480     48
        130.94   1.463     77
        129.56   1.447     76
        128.06   1.430    113
        127.75   1.427    112
        126.06   1.408     74
        125.75   1.405     72
        124.56   1.391     68
        124.19   1.387     74
        123.56   1.380     79
        122.00   1.363    106
        121.19   1.354    115
        119.56   1.335     81
        119.00   1.329     78
        118.19   1.320     67
        117.06   1.308     81
        116.06   1.296     73
        114.75   1.282    112
        112.88   1.261     94
        112.50   1.257     87
        111.88   1.250     89
        110.50   1.234     64
        110.00   1.229     50
        108.44   1.211     71
        107.00   1.195     53
        106.31   1.188     52
        105.50   1.178     61
        104.88   1.172     66
        102.00   1.139     59
         97.94   1.094     90
         96.56   1.079     58
         94.44   1.055     47
         92.94   1.038     97
         91.88   1.026     51
         91.44   1.021     54
         91.06   1.017     60
         87.81   0.981    328
         87.38   0.976    331
         86.75   0.969    363
         82.06   0.917   1000
         79.63   0.890    466
         75.88   0.848    618
         72.44   0.809    146
         71.38   0.798    104
         69.50   0.777     54
    

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    1H NMR 399.65 MHz
    C6 H15 N O 0.04 g : 0.5 ml CDCl3
    L-2-amino-3-methyl-1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.638 B *1 3.330 C 3.01 D 2.672 E *2 1.500 F *2 1.391 G 1.172 J 0.904 K 0.881 J(A,B)=10.7HZ. J(A,D)=3.5HZ. J(B,D)=8.6HZ. J(D,G)=6.2HZ. 90MHZ. : HSP-03-555

         Hz     ppm     Int.
    

       1461.55   3.658    188
       1458.01   3.649    191
       1450.81   3.631    220
       1447.27   3.622    214
       1340.21   3.354    222
       1331.67   3.333    237
       1329.47   3.327    194
       1320.92   3.306    199
       1202.03   3.008    103
       1077.03   2.695     89
       1073.49   2.687     96
       1070.80   2.680     98
       1068.48   2.674    106
       1067.26   2.671    111
       1064.94   2.665     88
       1062.26   2.658     93
       1058.59   2.649     83
        612.79   1.534     51
        608.89   1.524     59
        607.06   1.519     33
        605.22   1.515     59
        603.15   1.510     36
        601.32   1.505     69
        599.49   1.501     65
        597.90   1.497     35
        595.58   1.491     73
        593.87   1.486     38
        591.92   1.482     61
        588.01   1.472     72
        580.69   1.453     30
        568.12   1.422     44
        564.21   1.412     36
        561.65   1.406     62
        559.33   1.400     54
        557.74   1.396     51
        555.18   1.390     70
        552.73   1.384     66
        551.15   1.380     46
        548.71   1.373     60
        546.14   1.367     47
        542.24   1.357     39
        482.54   1.208     75
        481.32   1.205     32
        476.68   1.193     38
        475.22   1.190     87
        473.75   1.186     67
        469.24   1.175     69
        468.02   1.172     63
        466.31   1.167     73
        461.91   1.156     73
        460.33   1.152     59
        459.35   1.150     41
        454.83   1.139     38
        453.86   1.136     34
        453.00   1.134     58
        368.65   0.923    555
        361.21   0.904   1000
        355.22   0.889    979
        353.76   0.886    496
        348.39   0.872    859
    

in CDCl3

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liquid film

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