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13073-35-3

L-乙硫胺酸(13073-35-3)红外图谱(IR2)

产品名称:L-乙硫胺酸

CAS:13073-35-3

分子式:C6H13NO2S

分子量: 163.24

InChI:InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey: GGLZPLKKBSSKCX-YFKPBYRVSA-N

Smiles:C(O)(=O)[C@H](CCSCC)N

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    Mass

    MS-NW-9321          
    S-ethyl-L-homocysteine
    C6H13NO2S           (Mass of molecular ion:    163)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      13.1
          26.0       1.7
          27.0      10.7
          28.0      25.2
          29.0      18.7
          30.0       7.3
          34.0       1.4
          35.0       4.3
          39.0       1.8
          41.0      10.1
          42.0       8.4
          43.0       6.6
          44.0       5.7
          45.0       7.6
          46.0       4.7
          47.0      30.6
          48.0       1.9
          49.0       1.5
          54.0       5.2
          55.0      39.7
          56.0      55.7
          57.0      17.3
          58.0      10.0
          59.0       6.2
          60.0       3.8
          61.0      38.8
          62.0       9.0
          63.0       2.2
          67.0       1.4
          70.0       3.5
          73.0       3.0
          74.0      49.0
          75.0     100.0
          76.0       5.8
          77.0       4.0
          83.0      58.9
          84.0       4.9
          85.0       1.7
          86.0       5.3
          87.0       3.1
          88.0      12.9
          89.0      27.7
          90.0       3.6
          91.0       2.2
          99.0       2.8
         100.0       4.6
         101.0      40.6
         102.0       3.6
         103.0       8.4
         116.0      47.8
         117.0       5.7
         118.0      18.3
         119.0       1.5
         128.0       6.3
         134.0       4.3
         145.0      55.4
         146.0       8.9
         147.0       3.7
         163.0      42.9
         164.0       7.2
         165.0       2.5
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C6 H13 N O2 S saturated in D2O
    S-ethyl-L-homocysteine
    ChemicalStructure
        Assign.     Shift(ppm)
    B 3.850 C 2.67 D 2.62 E 2.28 to 2.00 F 1.242 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        351.38   3.924    152
        345.50   3.858    231
        345.06   3.853    229
        339.06   3.786    195
        249.13   2.782    136
        247.94   2.769    134
        246.06   2.748    134
        245.50   2.742    145
        244.50   2.731     66
        243.94   2.724     64
        241.06   2.692    392
        238.19   2.660    496
        236.19   2.638     80
        235.50   2.630     78
        233.75   2.610    302
        233.19   2.604    338
        231.38   2.584    348
        230.75   2.577    561
        228.25   2.549     58
        223.94   2.501    176
        223.31   2.494    199
        202.56   2.262    203
        200.00   2.234     71
        197.06   2.201    208
        195.69   2.186    173
        194.75   2.175    136
        194.44   2.172    147
        193.75   2.164    141
        192.31   2.148     67
        191.13   2.135    118
        189.63   2.118    122
        188.56   2.106    133
        188.06   2.100    162
        182.69   2.040     83
        180.06   2.011     73
        118.56   1.324    550
        111.38   1.244   1000
        111.00   1.240    955
        108.44   1.211     61
        108.13   1.208     57
        103.81   1.160    433
    

KBr disc

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nujol mull

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