2899-36-7

L-蛋氨酸乙酯鹽酸鹽(2899-36-7)核磁圖(¹HNMR)

產(chǎn)品名稱:L-蛋氨酸乙酯鹽酸鹽

CAS:2899-36-7

分子式:C7H16ClNO2S

分子量: 213.73

InChI:InChI=1/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/s3

InChIKey: KPWCQEUBJAIORR-UZHXKHNSNA-N

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

Mass

MS-IW-0735          
ethyl L-methioninate hydrochloride
C7H15NO2S HCl       (Mass of molecular ion:    177)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.1
      18.0       6.5
      27.0       4.4
      28.0       8.7
      29.0       6.8
      30.0       3.6
      31.0       1.0
      35.0       4.4
      36.0      38.5
      38.0      12.5
      41.0       3.1
      42.0       3.1
      43.0       3.2
      44.0       1.3
      45.0       2.4
      46.0       1.9
      47.0       4.3
      48.0       2.0
      54.0       2.1
      55.0       2.9
      56.0      77.8
      57.0       7.9
      58.0       1.8
      59.0       1.0
      61.0      97.7
      62.0       3.2
      63.0       4.5
      74.0      21.5
      75.0      11.4
      83.0       9.3
      84.0       1.2
      85.0       1.0
      87.0       3.7
      88.0       4.9
     100.0      25.3
     101.0       1.8
     102.0      12.4
     103.0       5.1
     104.0     100.0
     105.0       6.1
     106.0       4.7
     114.0       5.3
     116.0      13.7
     129.0      25.8
     130.0       2.3
     131.0      27.5
     132.0       2.0
     133.0       1.3
     148.0       9.1
     160.0       2.6
     177.0      70.6
     178.0       9.8
     179.0       4.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₅ N O₂ S	0.040 g : 0.5 ml CDCl₃
ethyl L-methioninate hydrochloride

    Assign.     Shift(ppm)

      A             8.8
      B             4.4
      C             4.289
      D     *1      2.835
      E     *1      2.748
      F             2.39
      G             2.135
      J             1.319

     Hz     ppm     Int.

   3519.59   8.807    214
   1743.77   4.364     75
   1730.35   4.330     45
   1726.99   4.322     66
   1723.48   4.313    102
   1719.82   4.304    203
   1716.46   4.295    222
   1712.49   4.285    226
   1709.29   4.277    209
   1705.47   4.268    107
   1702.27   4.260     69
   1698.46   4.250     40
   1141.51   2.857     39
   1134.80   2.840     54
   1127.78   2.822     73
   1120.61   2.804     44
   1109.01   2.775     35
   1107.03   2.770     31
   1101.99   2.758     60
   1095.58   2.742     53
   1088.41   2.724     34
    972.75   2.435     64
    966.03   2.418     96
    958.56   2.399     94
    954.13   2.388     90
    947.88   2.372     87
    940.55   2.354     54
    853.58   2.136    570
    534.52   1.338    494
    527.34   1.320   1000
    520.17   1.302    488

in CDCl3