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594-44-5

乙基磺酰氯(594-44-5)核磁图(1HNMR)

产品名称:乙基磺酰氯

CAS:594-44-5

分子式:C2H5ClO2S

分子量: 128.58

InChI:InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3

InChIKey: FRYHCSODNHYDPU-UHFFFAOYSA-N

Smiles:C(S(Cl)(=O)=O)C

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    Mass

    MS-NW-4925          
    ethanesulfonyl chloride
    C2H5ClO2S           (Mass of molecular ion:    128)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       3.9
          27.0      26.5
          28.0       8.2
          29.0     100.0
          30.0       2.4
          36.0       2.0
          48.0       2.7
          64.0       3.0
          65.0       1.0
          93.0       8.1
    

90 MHz in CDCl3

parameter neat

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    1H NMR 89.56 MHz
    C2 H5 Cl O2 S 0.04 ml : 0.5 ml CDCl3
    ethanesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.694 B 1.621

         Hz     ppm     Int.
    

        342.56   3.825    121
        342.19   3.821    108
        335.00   3.741    441
        327.69   3.659    477
        320.69   3.581    152
        152.19   1.700    476
        145.06   1.620   1000
        137.63   1.537    393
    

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    1H NMR 300 MHz
    C2 H5 Cl O2 S neat
    ethanesulfonyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.44 D(B) *1 4.58 D(C) *1 4.43 J(A,B) 7.1 J(A,C) 6.9 J(B,C) -10.0 SEEL,F. ET AL. CHEM.BER. 102, 443 (1969)

         Hz     ppm     Int.
    

       1390.25   4.634     35
       1383.14   4.610    105
       1380.26   4.601     57
       1376.05   4.587    109
       1373.15   4.577    163
       1368.94   4.563     40
       1366.03   4.553    164
       1358.95   4.530     57
       1343.84   4.479     54
       1336.94   4.456    162
       1333.85   4.446     39
       1330.04   4.433    165
       1326.95   4.423    108
       1323.14   4.410     59
       1320.05   4.400    106
       1313.18   4.377     37
        438.97   1.463    542
        431.98   1.440   1000
        424.98   1.417    529
    

liquid film

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