599-70-2

乙基苯基砜(599-70-2)核磁圖(¹³CNMR)

產品名稱:乙基苯基砜

CAS:599-70-2

分子式:C8H10O2S

分子量: 170.23

InChI:InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey: VBQUDDWATQWCPP-UHFFFAOYSA-N

Smiles:C1(S(CC)(=O)=O)=CC=CC=C1

Mass

MS-IW-4914          
(ethylsulfonyl)benzene
C8H10O2S            (Mass of molecular ion:    170)

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

      26.0       1.2
      27.0       9.0
      28.0       2.7
      29.0      16.4
      39.0       3.6
      45.0       1.2
      50.0       9.6
      51.0      34.1
      52.0       2.9
      53.0       1.0
      63.0       1.1
      65.0       5.4
      66.0       3.2
      69.0       1.1
      74.0       3.3
      75.0       2.4
      76.0       3.0
      77.0     100.0
      78.0      58.2
      79.0       4.3
      91.0       6.6
      93.0       2.9
      94.0      54.8
      95.0       3.9
      97.0       2.9
     109.0       1.1
     125.0       8.5
     126.0       1.3
     141.0      28.1
     142.0      23.3
     143.0       3.1
     144.0       1.3
     170.0      40.9
     171.0       4.2
     172.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O₂ S	0.041 g : 0.5 ml CDCl₃
(ethylsulfonyl)benzene

    Assign.     Shift(ppm)

      A             7.917
      B             7.667
      C             7.585
      D             3.128
      E             1.275

     Hz     ppm     Int.

   3170.17   7.933     43
   3168.09   7.928    233
   3167.48   7.926    217
   3166.87   7.925    259
   3166.14   7.923    129
   3165.53   7.921    127
   3161.87   7.912     95
   3159.79   7.907    351
   3158.45   7.904    272
   3074.58   7.694     38
   3073.24   7.690     69
   3072.02   7.687     39
   3067.99   7.677     52
   3066.04   7.672    162
   3063.84   7.667     56
   3059.69   7.656     92
   3058.35   7.653    151
   3057.13   7.650     77
   3039.67   7.606     57
   3037.72   7.601    233
   3036.25   7.598    107
   3031.25   7.585    193
   3029.91   7.582    340
   3028.56   7.579     87
   3024.29   7.568     66
   3022.58   7.564    134
   3021.73   7.561     91
   3020.87   7.559     39
   1261.47   3.157    155
   1253.91   3.138    478
   1246.46   3.119    488
   1239.14   3.101    167
    517.09   1.294    508
    509.64   1.276   1000
    502.20   1.257    500

in CDCl3