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返回ChemicalBook首页>CAS数据库列表>2491-18-1更多图谱> L-蛋氨酸甲酯盐酸盐(2491-18-1)核磁图(13CNMR)

2491-18-1

L-蛋氨酸甲酯盐酸盐(2491-18-1)核磁图(13CNMR)

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|

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    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

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

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KBr disc

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nujol mull

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