2-氯乙基苯基硫醚(5535-49-9)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯乙基苯基硫醚

CAS:5535-49-9

分子式:C8H9ClS

分子量: 172.68

InChI:InChI=1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: QDXIHHOPZFCEAP-UHFFFAOYSA-N

Smiles:C1(SCCCl)=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7364          
(2-chloroethylthio)benzene
C8H9ClS             (Mass of molecular ion:    172)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.4
      39.0       4.2
      45.0      24.1
      47.0       1.1
      50.0       2.3
      51.0       5.9
      58.0       1.2
      59.0       1.7
      63.0       2.5
      65.0       9.6
      66.0       4.1
      69.0       4.2
      77.0       6.1
      78.0       1.3
      79.0       4.1
      82.0       1.2
      84.0       1.3
      91.0       2.5
     108.0       2.6
     109.0      17.4
     110.0      16.3
     111.0       2.0
     123.0     100.0
     124.0       8.9
     125.0       5.1
     135.0       2.9
     136.0       1.2
     137.0       8.1
     172.0      53.3
     173.0       5.3
     174.0      19.7
     175.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl S	0.05 ml : 0.5 ml CDCl₃
(2-chloroethylthio)benzene

    Assign.     Shift(ppm)

      A             7.368
      B             7.288
      C             7.221
      D             3.583
      E             3.192

     Hz     ppm     Int.

   2951.42   7.386    226
   2950.68   7.384    537
   2949.22   7.380    751
   2947.14   7.375    222
   2943.36   7.365    484
   2942.14   7.362    875
   2940.92   7.359    820
   2938.72   7.354    142
   2921.63   7.311    171
   2920.90   7.309    330
   2919.80   7.306    548
   2917.97   7.302    193
   2914.79   7.294    199
   2913.33   7.290    602
   2912.60   7.288   1000
   2911.13   7.285    462
   2906.49   7.273    289
   2905.15   7.270    503
   2902.71   7.264     93
   2892.70   7.239    265
   2891.24   7.235    466
   2889.89   7.232    258
   2886.23   7.222    182
   2883.91   7.217    504
   2881.59   7.211    127
   2878.05   7.202    109
   2876.71   7.199    181
   2875.49   7.196     94
   1440.43   3.605    776
   1436.52   3.595    167
   1433.47   3.587    597
   1432.74   3.585    723
   1430.79   3.581    499
   1427.86   3.573    177
   1424.44   3.565    909
   1283.45   3.212    897
   1279.91   3.203    173
   1276.86   3.195    505
   1275.39   3.192    707
   1274.29   3.189    548
   1271.24   3.181    158
   1267.46   3.172    752
   1265.14   3.166     40

in CDCl3