4853-75-2

乙基异丙基砜(4853-75-2)质谱(MS)

产品名称:乙基异丙基砜

CAS:4853-75-2

分子式:C5H12O2S

分子量: 136.21

InChI:InChI=1S/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3

InChIKey: RDKKQZIFDSEMNU-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8156          
ethyl isopropyl sulfone
C5H12O2S            (Mass of molecular ion:    136)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.2
      26.0       2.2
      27.0      25.7
      28.0       3.6
      29.0      14.0
      38.0       1.4
      39.0      11.8
      40.0       2.5
      41.0      53.6
      42.0      17.8
      43.0     100.0
      44.0       5.1
      48.0       3.0
      57.0       1.7
      59.0       1.1
      63.0       1.0
      64.0       3.7
      65.0       1.1
      66.0      31.7
      67.0       1.3
      68.0       1.6
      76.0       1.5
      77.0       3.1
      78.0       1.0
      94.0      24.3
      95.0      32.8
      96.0       2.1
      97.0       1.5
     107.0       1.2
     137.0       4.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₂ O₂ S	0.05 ml : 0.5 ml CDCl₃
ethyl isopropyl sulfone

    Assign.     Shift(ppm)

      A             3.158
      B             2.994
      C             1.394
      D             1.391

     Hz     ppm     Int.

   1275.63   3.192     39
   1268.80   3.175     95
   1261.84   3.158    126
   1255.00   3.141     97
   1248.05   3.123     41
   1208.13   3.023    110
   1200.68   3.005    308
   1197.39   2.997     24
   1193.12   2.986    311
   1185.67   2.967    115
    574.46   1.438     23
    570.31   1.428     32
    564.58   1.413    405
    559.33   1.400   1000
    557.01   1.394    606
    552.37   1.383    883
    549.44   1.375    355

in CDCl3