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622-38-8

苯乙硫醚(622-38-8)Raman光谱

产品名称:苯乙硫醚

CAS:622-38-8

分子式:C8H10S

分子量: 138.23

InChI:InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey: AEHWKBXBXYNPCX-UHFFFAOYSA-N

Smiles:C1(SCC)=CC=CC=C1

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    Mass

    MS-IW-4767          
    (ethylthio)benzene
    C8H10S              (Mass of molecular ion:    138)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.4
          29.0       4.4
          38.0       1.0
          39.0       6.9
          45.0      25.5
          47.0       1.2
          50.0       3.5
          51.0       9.7
          52.0       1.1
          58.0       2.0
          59.0       3.1
          60.0       2.7
          61.0       2.2
          63.0       2.1
          65.0      12.1
          66.0      17.7
          67.0       1.0
          69.0       6.0
          71.0       1.0
          74.0       1.3
          77.0      10.3
          78.0       4.7
          79.0       4.7
          82.0       1.7
          84.0       6.1
          91.0       2.8
         103.0       1.2
         105.0       3.7
         108.0       3.1
         109.0      16.0
         110.0      60.5
         111.0       5.2
         112.0       2.9
         123.0      66.0
         124.0       5.7
         125.0       3.2
         135.0       1.1
         137.0       1.7
         138.0     100.0
         139.0       9.8
         140.0       4.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 S 0.05 ml : 0.5 ml CDCl3
    (ethylthio)benzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.31 B 7.255 C 7.143 D 2.912 E 1.287

         Hz     ppm     Int.
    

       2926.64   7.324    143
       2925.17   7.320    195
       2923.22   7.315     69
       2920.04   7.307     99
       2919.07   7.305    179
       2918.09   7.302    329
       2917.11   7.300    343
       2915.16   7.295     68
       2907.71   7.276     71
       2906.37   7.273    240
       2904.30   7.268     77
       2900.88   7.259     79
       2898.93   7.254    337
       2897.58   7.251    159
       2892.70   7.239     80
       2890.99   7.234    167
       2889.40   7.230     34
       2862.18   7.162     71
       2860.84   7.159    131
       2859.50   7.156     71
       2855.59   7.146     63
       2853.64   7.141    157
       2851.68   7.136     54
       2847.78   7.126     42
       2846.44   7.123     73
       2845.09   7.119     40
       1175.29   2.941    157
       1167.85   2.923    463
       1160.52   2.904    488
       1153.20   2.886    173
        521.85   1.306    497
        514.40   1.288   1000
        507.08   1.269    526
    

in CDCl3

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liquid film

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