殺螨砜(80-00-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:殺螨砜

CAS:80-00-2

分子式:C12H9ClO2S

分子量: 252.72

InChI:InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

InChIKey: OFCFYWOKHPOXKF-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(S(C2=CC=CC=C2)(=O)=O)C=C1

Mass

MS-IW-8378          
p-chlorophenyl phenyl sulfone
C12H9ClO2S          (Mass of molecular ion:    252)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.8
      50.0       6.7
      51.0      15.8
      63.0       1.4
      65.0       2.4
      73.0       1.0
      74.0       3.1
      75.0      10.7
      76.0       4.7
      77.0      26.7
      78.0       2.2
      81.0       1.3
      85.0       1.1
      94.0       2.7
      95.0       1.1
      97.0       8.8
      99.0       2.6
     108.0       1.1
     109.0       1.2
     111.0      10.2
     112.0       1.0
     113.0       3.3
     125.0     100.0
     126.0       8.0
     127.0       7.2
     131.0       4.6
     133.0       1.7
     141.0       1.1
     151.0       1.6
     152.0       6.4
     153.0       1.9
     159.0      48.3
     160.0       3.6
     161.0      18.0
     162.0       1.3
     188.0       1.0
     251.0       1.3
     252.0      46.4
     253.0       7.1
     254.0      17.6
     255.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₉ Cl O₂ S	0.039 g : 0.5 ml CDCl₃
p-chlorophenyl phenyl sulfone

    Assign.     Shift(ppm)

      A             7.93
      B             7.88
      C             7.59
      D             7.50
      E             7.46

     Hz     ppm     Int.

    718.94   8.028     40
    715.50   7.990    254
    713.56   7.968    295
    710.38   7.932    685
    708.56   7.912    401
    705.75   7.881    434
    703.69   7.858    300
    701.56   7.834    736
    699.31   7.809    148
    697.56   7.789     62
    697.06   7.784     57
    686.19   7.662     43
    681.94   7.615    102
    680.25   7.596    175
    679.38   7.586    166
    677.31   7.563    671
    675.56   7.544    604
    672.38   7.508   1000
    670.13   7.483    507
    667.88   7.458    136
    667.00   7.448    157
    666.63   7.444    159
    665.56   7.432    269
    663.50   7.409    490
    661.25   7.384    117
    650.69   7.266     99

in CDCl3