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Back ChemicalBook Home>CAS DataBase List>18598-63-5More Spectrum> L-Cysteine methyl ester hydrochloride(18598-63-5) IR2

L-Cysteine methyl ester hydrochloride(18598-63-5) IR2

Molecular FormulaC4H10ClNO2S

Molecular Weight171.65

InChIInChI=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|


  • 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


  • 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



KBr disc



nujol mull



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