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7533-40-6

L-亮氨醇(7533-40-6)Raman光谱

产品名称:L-亮氨醇

CAS:7533-40-6

分子式:C6H15NO

分子量: 117.19

InChI:InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1

InChIKey: VPSSPAXIFBTOHY-LURJTMIESA-N

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

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    Mass

    MS-NW-5619          
    L-2-amino-4-methyl-1-pentanol
    C6H15NO             (Mass of molecular ion:    117)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.9
          18.0       7.3
          27.0      10.3
          28.0      10.5
          29.0       5.3
          30.0      69.3
          31.0       4.2
          39.0       6.7
          40.0       1.4
          41.0      19.6
          42.0      20.5
          43.0      35.5
          44.0      81.2
          45.0       2.3
          53.0       1.2
          54.0       1.0
          55.0       2.3
          56.0      10.2
          57.0       6.4
          58.0       1.2
          59.0       1.2
          60.0      44.4
          61.0       1.3
          67.0       1.3
          69.0       2.7
          70.0       2.5
          84.0       3.6
          86.0     100.0
          87.0       6.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H15 N O 0.04 ml : 0.5 ml CDCl3
    L-2-amino-4-methyl-1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.535 B *1 3.236 C 2.90 D 2.52 E 1.67 F 1.18 G *2 0.930 J *2 0.901 J(E,G)=6.5HZ. J(E,J)=6.3HZ. J(A,B)=-10.4HZ. J(A,C)=3.8HZ. J(B,C)=7.6HZ.

         Hz     ppm     Int.
    

        325.75   3.638    111
        321.94   3.595    146
        315.25   3.520    248
        311.50   3.479    281
        298.50   3.333    215
        290.88   3.248    301
        288.06   3.217     89
        280.44   3.132    209
        271.63   3.033     52
        267.94   2.992     42
        265.19   2.962     80
        261.44   2.920     68
        260.75   2.912     61
        258.44   2.886     62
        257.63   2.877     63
        254.69   2.844     59
        250.94   2.802     41
        247.13   2.760     34
        225.63   2.520    764
        159.94   1.786     48
        153.31   1.712     67
        146.81   1.640     65
        145.88   1.629     63
        139.56   1.559     45
        112.63   1.258    297
        106.00   1.184    448
         99.50   1.111    168
         98.69   1.102    186
         86.25   0.964    929
         83.56   0.934   1000
         79.75   0.891    786
         77.19   0.862    802
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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