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

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

¹H NMR	89.56 MHz
C₆ H₁₅ N O	0.04 ml : 0.5 ml CDCl₃
L-2-amino-4-methyl-1-pentanol

    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