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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>18598-63-5更多圖譜> L-半胱氨酸甲酯鹽酸鹽(18598-63-5)紅外圖譜(IR2)

18598-63-5

L-半胱氨酸甲酯鹽酸鹽(18598-63-5)紅外圖譜(IR2)

產(chǎn)品名稱:L-半胱氨酸甲酯鹽酸鹽

CAS:18598-63-5

分子式:C4H10ClNO2S

分子量: 171.65

InChI:InChI=1/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/s3

InChIKey: WHOHXJZQBJXAKL-OQFXAWDINA-N

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

  • 圖譜
    Mass 

    MS-NW-2577          
L-cysteine methyl ester hydrochloride
C4H9NO2S HCl        (Mass of molecular ion:    135)


       Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          15.0       9.7
      18.0       1.5
      27.0       1.2
      28.0      17.1
      29.0       3.4
      30.0       8.2
      33.0      26.0
      35.0       4.2
      36.0      35.4
      37.0       1.3
      38.0      11.3
      41.0       2.7
      42.0      12.5
      43.0      15.5
      45.0       3.6
      46.0       1.8
      47.0       5.5
      48.0       2.0
      57.0       1.3
      58.0       1.8
      59.0      29.8
      60.0       3.7
      61.0       1.5
      74.0       3.6
      75.0      10.5
      76.0     100.0
      77.0       3.7
      78.0       4.1
      86.0       1.4
      88.0      60.1
      89.0       5.6
     135.0       2.5

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C4 H9 N O2 S 0.035 g : 0.5 ml D2O
    L-cysteine methyl ester hydrochloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.453
      B             3.871
      C     *1      3.18
      D     *1      3.15
     
     THE SOLVENT PEAK SUPPRESSED.
  

         Hz     ppm     Int.


       1784.79   4.466     75
   1779.42   4.453    112
   1774.78   4.441     77
   1549.44   3.877     71
   1547.12   3.872   1000
   1286.01   3.218     24
   1280.40   3.204     23
   1270.75   3.180    132
   1264.40   3.164    202
   1259.89   3.153    137
   1249.15   3.126     28
   1244.51   3.115     26

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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