烯丙基苯砜(16212-05-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:烯丙基苯砜

CAS:16212-05-8

分子式:C9H10O2S

分子量: 182.24

InChI:InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey: KYPIULIVYSQNNT-UHFFFAOYSA-N

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

Mass

MS-IW-9716          
allyl phenyl sulfone
C9H10O2S            (Mass of molecular ion:    182)

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

      27.0       2.4
      28.0       1.6
      38.0       2.1
      39.0      21.1
      40.0       2.3
      41.0      85.5
      42.0       2.9
      45.0       1.1
      50.0       7.3
      51.0      27.3
      52.0       2.3
      53.0       1.0
      64.0       1.6
      65.0       2.2
      66.0       1.1
      74.0       2.0
      75.0       1.5
      76.0       1.9
      77.0     100.0
      78.0      16.1
      79.0       1.1
      91.0       8.1
      92.0       1.2
      94.0       1.4
      97.0       2.8
     103.0       1.4
     109.0       1.0
     110.0       1.8
     115.0       5.0
     116.0       1.9
     117.0      29.1
     118.0      21.8
     119.0       2.1
     125.0       8.0
     126.0       2.7
     134.0       4.1
     135.0       1.3
     141.0      43.2
     142.0       3.4
     143.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₂ S	0.05 ml : 0.5 ml CDCl₃
allyl phenyl sulfone

    Assign.     Shift(ppm)

      A             7.878
      B             7.650
      C             7.560
      D             5.782
      E             5.321
      F             5.158
      G             3.835

     Hz     ppm     Int.

   3154.79   7.894    155
   3152.83   7.889    756
   3151.73   7.887    797
   3150.27   7.883    410
   3146.61   7.874    301
   3144.65   7.869   1000
   3143.19   7.865    809
   3067.75   7.677    126
   3066.41   7.673    219
   3065.19   7.670    134
   3061.16   7.660    176
   3059.08   7.655    511
   3057.01   7.650    192
   3052.86   7.639    271
   3051.64   7.636    436
   3050.29   7.633    238
   3029.54   7.581    192
   3027.59   7.576    699
   3026.12   7.572    343
   3021.12   7.560    614
   3019.78   7.557    959
   3018.43   7.553    322
   3014.16   7.543    217
   3012.45   7.538    422
   3011.60   7.536    305
   2332.64   5.837    123
   2325.20   5.819    258
   2322.51   5.812    145
   2317.87   5.800    142
   2315.06   5.793    329
   2308.11   5.776    361
   2305.42   5.769    164
   2300.78   5.757    155
   2297.97   5.750    317
   2290.65   5.732    156
   2131.84   5.335    500
   2130.86   5.332    477
   2124.76   5.317     43
   2121.70   5.309    443
   2120.73   5.307    427
   2070.43   5.181    221
   2069.21   5.178    504
   2067.99   5.175    488
   2066.77   5.172    200
   2053.34   5.138    191
   2052.12   5.135    440
   2050.90   5.132    434
   2049.68   5.129    178
   1537.23   3.847    740
   1536.38   3.845    910
   1535.28   3.842    649
   1529.79   3.828    696
   1528.93   3.826    879
   1527.83   3.823    641

in CDCl3