2491-18-1

L-蛋氨酸甲酯盐酸盐(2491-18-1)核磁图(¹³CNMR)

产品名称:L-蛋氨酸甲酯盐酸盐

CAS:2491-18-1

分子式:C6H14ClNO2S

分子量: 199.7

InChI:InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/s3

InChIKey: MEVUPUNLVKELNV-USHJBNIQNA-N

Smiles:[C@H](N)(CCSC)C(=O)OC.Cl |&1:0,r|

Mass

MS-NW-7009          
L-methionine methyl ester hydrochloride
C6H13NO2S HCl       (Mass of molecular ion:    163)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0      12.1
      18.0       1.8
      27.0       8.8
      28.0      25.3
      29.0       6.2
      30.0       9.4
      33.0      13.3
      35.0       7.7
      36.0      28.5
      37.0       1.9
      38.0       9.7
      39.0       2.5
      41.0       6.4
      42.0      10.5
      43.0       6.5
      44.0       1.9
      45.0       7.6
      46.0       3.4
      47.0       7.4
      48.0       2.2
      49.0       2.0
      52.0       1.2
      54.0       5.9
      55.0       7.8
      56.0      72.0
      57.0       8.4
      58.0       1.2
      59.0       4.3
      60.0       3.1
      61.0     100.0
      62.0       3.6
      63.0       4.7
      70.0       1.2
      74.0       9.2
      75.0      11.5
      83.0      18.3
      84.0       1.4
      87.0       4.5
      88.0      25.3
      89.0       6.9
     100.0       8.4
     101.0       1.1
     102.0       2.8
     104.0      47.9
     105.0       2.9
     106.0       2.3
     114.0       5.6
     115.0      20.7
     116.0       9.7
     131.0      13.4
     146.0       2.2
     148.0       1.1
     163.0      36.0
     164.0       3.5
     165.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₃ N O₂ S	0.037 g : 0.5 ml DMSO-d₆
L-methionine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             8.8
      B             4.081
      C             3.749
      D     *1      2.672
      E     *1      2.57
      F             2.12
      G             2.058
     
     SIGNAL E OVERLAPPED BY SOLVENT PEAK

     Hz     ppm     Int.

   3536.07   8.848     56
   1637.57   4.098     76
   1631.47   4.083    143
   1625.21   4.067     68
   1498.41   3.750    887
   1076.51   2.694     52
   1069.79   2.677     69
   1066.44   2.669     49
   1063.08   2.661     81
   1055.30   2.641     47
   1038.36   2.599     50
   1030.58   2.579     80
   1023.71   2.562     70
   1016.54   2.544     54
    858.76   2.149     56
    852.36   2.133    111
    846.25   2.118    138
    839.54   2.101    127
    832.82   2.084     98
    822.60   2.059   1000

D2O

in DMSO-d6