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504-33-6

DL-HOMOCYSTEIC ACID

Product Name DL-HOMOCYSTEIC ACID

CAS504-33-6

MFC4H9NO5S

MW183.18

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  • 504-33-6_ms
    Mass

    MS-NW-4998          
    DL-homocysteic acid
    C4H9NO5S            (Mass of molecular ion:    183)
    

       Source Temperature: 230 °C
       Sample Temperature: 260 °C
       Direct, 75 eV
    

          12.0       1.1
          16.0      19.2
          17.0      27.1
          18.0      94.9
          20.0       1.0
          26.0       1.9
          27.0       2.6
          28.0      53.1
          29.0       1.4
          30.0       1.3
          32.0       4.1
          34.0       2.1
          39.0       2.4
          40.0       1.1
          41.0       2.6
          42.0       1.4
          43.0       1.1
          44.0      29.2
          48.0      32.5
          50.0       2.0
          52.0       1.3
          53.0       1.1
          54.0       2.0
          55.0       1.6
          56.0       1.2
          64.0     100.0
          65.0       1.2
          66.0       4.4
          80.0       1.3
          82.0       1.0
          92.0       1.0
          93.0       2.1
          94.0       1.0
    

400 MHz in D2O

  • 504-33-6_1hnmr

    1H NMR 399.65 MHz
    C4 H9 N O5 S 0.037 g : 0.5 ml D2O
    DL-homocysteic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.260 B *1 3.138 C *1 3.091 D *2 2.435 E *2 2.347 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1708.98   4.277    485
       1702.51   4.261   1000
       1696.04   4.244    490
       1272.09   3.184    115
       1265.75   3.168    150
       1262.82   3.160    136
       1258.06   3.148    395
       1256.47   3.144    214
       1251.71   3.133    417
       1248.66   3.125    503
       1246.22   3.119    427
       1242.31   3.109    453
       1240.11   3.103    521
       1236.94   3.096    425
       1230.96   3.081    447
       1226.07   3.068    124
       1222.90   3.060    160
       1216.92   3.045    130
        986.69   2.469    176
        984.01   2.463    108
        980.10   2.453    123
        978.03   2.448    281
        971.80   2.432    397
        969.12   2.425    249
        965.58   2.417    209
        962.65   2.409    370
        956.18   2.393    205
        954.96   2.390    231
        948.61   2.374    344
        945.56   2.366    209
        942.26   2.358    237
        939.21   2.351    335
        933.11   2.335    248
        930.79   2.330    130
        927.37   2.321    104
        924.44   2.314    152
    

in D2O

  • 504-33-6_13cnmr

KBr disc

  • 504-33-6_ir1_2

nujol mull

  • 504-33-6_ir2_1

  • 504-33-6_raman