127-63-9

二苯砜(127-63-9)紅外圖譜(IR1)

產(chǎn)品名稱:二苯砜

CAS:127-63-9

分子式:C12H10O2S

分子量: 218.27

InChI:InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey: KZTYYGOKRVBIMI-UHFFFAOYSA-N

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

Mass

MS-NW-0207          
diphenyl sulfone
C12H10O2S           (Mass of molecular ion:    218)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      27.0       1.6
      39.0       3.1
      50.0       6.4
      51.0      23.1
      52.0       1.5
      53.0       1.2
      63.0       1.1
      65.0       3.9
      74.0       2.0
      75.0       1.7
      76.0       2.4
      77.0      34.2
      78.0       3.2
      81.0       1.6
      97.0      11.4
     109.0       1.5
     125.0     100.0
     126.0       7.6
     127.0       5.0
     151.0       1.1
     152.0       4.5
     153.0       3.6
     154.0       1.3
     217.0       1.8
     218.0      37.7
     219.0       5.2
     220.0       2.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₂ S	0.033 g : 0.5 ml CDCl₃
diphenyl sulfone

    Assign.     Shift(ppm)

      A             7.953
      B             7.555
      C             7.502

     Hz     ppm     Int.

   3185.30   7.971    145
   3182.98   7.965    682
   3181.76   7.962    787
   3180.18   7.958    459
   3176.88   7.950    313
   3174.80   7.944   1000
   3173.34   7.941    717
   3030.52   7.583     90
   3029.30   7.580    159
   3027.95   7.577    112
   3024.66   7.569    135
   3021.85   7.562    509
   3019.53   7.556    195
   3015.99   7.547    314
   3014.65   7.544    492
   3013.18   7.540    280
   3006.71   7.524    191
   3004.52   7.518    744
   3003.05   7.515    373
   3001.10   7.510    140
   2998.41   7.503    518
   2996.83   7.499    929
   2991.46   7.486    203
   2989.87   7.482    387
   2988.40   7.478    246

¹H NMR	89.56 MHz
C₁₂ H₁₀ O₂ S	0.045 g : 0.5 ml CDCl₃
diphenyl sulfone

    Assign.     Shift(ppm)

      A             7.942
      B          7.56 to 7.41

     Hz     ppm     Int.

    716.69   8.003    438
    715.06   7.985    403
    714.63   7.980    413
    713.00   7.962    144
    711.31   7.943    316
    710.88   7.938    285
    710.00   7.928    414
    709.19   7.919    254
    707.63   7.902    390
    706.94   7.894    645
    704.63   7.868    125
    679.69   7.590    120
    678.38   7.575    173
    678.06   7.572    174
    676.88   7.558    202
    675.31   7.541   1000
    673.69   7.523    931
    670.19   7.484    458
    668.94   7.470    326
    668.19   7.461    479
    666.75   7.445    101
    665.19   7.428     89
    664.31   7.418     80
    663.69   7.411    141

in CDCl3