938-09-0

2-氯乙基苯基砜(938-09-0)質譜(MS)

產(chǎn)品名稱:2-氯乙基苯基砜

CAS:938-09-0

分子式:C8H9ClO2S

分子量: 204.67

InChI:InChI=1S/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: NUJGORANFDSMOL-UHFFFAOYSA-N

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

Mass

MS-IW-4904          
2-chloroethyl phenyl sulfone
C8H9ClO2S           (Mass of molecular ion:    204)

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

      26.0       1.5
      27.0      13.2
      28.0       1.8
      36.0       3.2
      38.0       1.4
      39.0       3.0
      45.0       1.1
      50.0       8.8
      51.0      30.3
      52.0       2.1
      63.0      16.2
      65.0       8.9
      66.0       1.1
      74.0       2.7
      75.0       2.8
      76.0       2.8
      77.0     100.0
      78.0      19.2
      79.0       1.3
      91.0       4.2
      93.0       3.1
      94.0       5.6
      97.0       4.1
     104.0       1.3
     112.0       1.0
     120.0       2.3
     125.0      37.8
     126.0       3.3
     127.0       2.0
     141.0      62.7
     142.0      17.0
     143.0       4.1
     156.0       3.9
     158.0       1.2
     168.0       5.3
     176.0       7.7
     178.0       2.8
     204.0      14.8
     205.0       1.5
     206.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl O₂ S	0.034 g : 0.5 ml CDCl₃
2-chloroethyl phenyl sulfone

    Assign.     Shift(ppm)

      A             7.930
      B             7.705
      C             7.610
      D             3.753
      E             3.543

     Hz     ppm     Int.

   3178.22   7.953     32
   3176.39   7.948    116
   3174.44   7.944    704
   3173.83   7.942    535
   3173.22   7.940    817
   3172.49   7.939    350
   3171.88   7.937    333
   3171.51   7.936    298
   3168.09   7.928    263
   3166.02   7.922   1000
   3164.79   7.919    783
   3161.01   7.910     34
   3089.84   7.732    122
   3088.62   7.729    217
   3087.28   7.725    135
   3083.13   7.715    155
   3081.18   7.710    428
   3079.10   7.705    175
   3077.51   7.701     34
   3076.90   7.699     32
   3074.95   7.695    265
   3073.61   7.691    443
   3072.39   7.688    227
   3050.05   7.632    148
   3048.71   7.629    531
   3048.22   7.628    684
   3047.61   7.626    356
   3046.63   7.624    319
   3044.56   7.619     60
   3044.07   7.617     61
   3041.50   7.611    493
   3040.28   7.608    885
   3038.94   7.605    251
   3038.33   7.603    175
   3034.67   7.594    203
   3032.96   7.590    397
   3032.10   7.587    299
   3031.13   7.585    113
   1508.79   3.776    549
   1508.18   3.774    527
   1504.39   3.765    183
   1501.59   3.758    868
   1500.73   3.756    675
   1499.27   3.752    552
   1496.46   3.745    218
   1493.29   3.737    801
   1492.80   3.736    759
   1423.46   3.562    752
   1422.85   3.561    728
   1419.80   3.553    215
   1416.99   3.546    529
   1415.41   3.542    664
   1414.67   3.540    837
   1411.74   3.533    171
   1408.08   3.524    524
   1407.47   3.522    498

in CDCl3