2461-80-5

硫化雙(苯甲酰甲基)(2461-80-5)質(zhì)譜(MS)

產(chǎn)品名稱:硫化雙(苯甲酰甲基)

CAS:2461-80-5

分子式:C16H14O2S

分子量: 270.35

InChI:InChI=1S/C16H14O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey: LHSKVFSCEMNSEC-UHFFFAOYSA-N

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

Mass

MS-NW-8020          
bis(benzoylmethyl) sulfide
C16H14O2S           (Mass of molecular ion:    270)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.4
      28.0       1.8
      39.0       2.0
      45.0       1.5
      50.0       2.7
      51.0      12.2
      65.0       2.5
      76.0       1.4
      77.0      43.9
      78.0       3.8
      91.0       9.1
     105.0     100.0
     106.0       7.4
     120.0       4.3
     133.0       1.4
     164.0       3.1
     165.0      16.6
     166.0       1.9
     237.0      11.3
     238.0       2.0
     270.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄ O₂ S	0.035 g : 0.5 ml CDCl₃
bis(benzoylmethyl) sulfide

    Assign.     Shift(ppm)

      A             7.968
      B             7.576
      C             7.467
      D             3.987

     Hz     ppm     Int.

   3191.16   7.985     38
   3189.33   7.981    238
   3188.72   7.979    203
   3187.99   7.977    301
   3187.26   7.976    149
   3186.77   7.974    129
   3186.28   7.973    111
   3182.98   7.965     87
   3180.79   7.959    329
   3179.57   7.956    286
   3037.72   7.601     42
   3036.50   7.598     84
   3035.16   7.595     50
   3031.01   7.585     58
   3029.05   7.580    176
   3027.22   7.575     67
   3022.95   7.564     91
   3021.61   7.561    158
   3020.39   7.558     84
   2993.16   7.490     48
   2991.94   7.487    187
   2991.33   7.485    238
   2989.87   7.482    115
   2984.62   7.469    174
   2983.52   7.466    317
   2982.18   7.462    113
   2977.91   7.452     71
   2976.20   7.448    162
   2975.46   7.446    123
   2974.49   7.443     52
   1593.51   3.988   1000

in CDCl3