594-44-5

乙基磺酰氯(594-44-5)质谱(MS)

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

¹HNMR

IR1

Raman

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

¹H NMR	89.56 MHz
C₂ H₅ Cl O₂ S	0.04 ml : 0.5 ml CDCl₃
ethanesulfonyl chloride

    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

¹H NMR	300 MHz
C₂ H₅ Cl O₂ S	neat
ethanesulfonyl chloride

    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