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100-42-5

苯乙烯(100-42-5)Raman光谱

产品名称:苯乙烯

CAS:100-42-5

分子式:C8H8

分子量: 104.15

InChI:InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey: PPBRXRYQALVLMV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3542          
    styrene
    C8H8                (Mass of molecular ion:    104)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.6
          38.0       1.4
          39.0       6.1
          50.0       7.3
          51.0      16.8
          52.0       6.6
          53.0       1.0
          62.0       1.6
          63.0       4.8
          65.0       1.4
          74.0       3.1
          75.0       2.4
          76.0       3.5
          77.0      17.4
          78.0      35.0
          79.0       2.3
          89.0       1.7
         102.0       6.1
         103.0      40.7
         104.0     100.0
         105.0       8.9
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C8 H8 0.04 ml : 0.5 ml CDCl3
    styrene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.50 to 7.10 B 6.692 C 5.737 D 5.225

         Hz     ppm     Int.
    

        668.81   7.468     70
        667.06   7.449     93
        665.44   7.431    157
        663.50   7.409    266
        662.69   7.400    296
        661.38   7.385    246
        660.50   7.375    543
        658.44   7.352   1000
        657.00   7.336    420
        655.81   7.323    466
        655.00   7.314    925
        654.13   7.304    840
        652.25   7.283    511
        651.63   7.276    320
        650.13   7.260    396
        649.00   7.247    660
        646.69   7.221    441
        644.88   7.201    135
        643.50   7.186     95
        615.63   6.874    263
        604.88   6.754    307
        598.06   6.678    388
        587.31   6.558    451
        521.56   5.824    665
        520.50   5.812    712
        504.00   5.628    492
        502.88   5.616    469
        473.44   5.287    525
        472.31   5.274    482
        462.69   5.167    437
        461.56   5.154    431
    

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in CDCl3

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liquid film

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4880 A,200 M,liquid

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