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103364-66-5

DL-ETHIONINE SULFONE(103364-66-5)核磁图(1HNMR)

分子式:C6H13NO4S

分子量: 195.24

InChI:InChI=1S/C6H13NO4S/c1-2-12(10,11)4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey: JUPFRFWQYLQKPU-YFKPBYRVSA-N

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

400 MHz in D2O

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    1H NMR 399.65 MHz
    C6 H13 N O4 S 0.040 g : 0.5 ml D2O
    DL-ethionine sulfone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.908 B *1 3.435 C *1 3.361 D 3.287 E 2.373 F 1.369 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       1568.48   3.925    120
       1562.13   3.909    264
       1555.79   3.893    130
       1390.87   3.481     34
       1383.42   3.462     38
       1381.96   3.458     47
       1376.71   3.445     79
       1374.63   3.440     52
       1370.12   3.429     79
       1367.07   3.421     94
       1360.35   3.404     84
       1355.47   3.392     78
       1348.75   3.375     92
       1346.07   3.369     83
       1341.19   3.356     46
       1339.48   3.352     92
       1333.86   3.338     45
       1332.64   3.335     47
       1325.07   3.316    162
       1317.50   3.297    400
       1310.06   3.279    413
       1302.61   3.260    142
        960.33   2.403     69
        958.86   2.400     79
        953.74   2.387    123
        951.66   2.382    173
        949.10   2.375     84
        947.39   2.371     86
        945.19   2.366    155
        942.75   2.359    133
        937.87   2.347     68
        936.28   2.343     73
        554.69   1.388    498
        547.24   1.370   1000
        539.79   1.351    492
    

D2O

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KBr disc

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nujol mull

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