Ethylbenzene(100-41-4) MS

Product NameEthylbenzene

CAS 100-41-4

Molecular FormulaC8H10

Molecular Weight106.17

InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey YNQLUTRBYVCPMQ-UHFFFAOYSA-N

SmilesC1(CC)=CC=CC=C1

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Mass

MS-NW-5529          
ethylbenzene
C8H10               (Mass of molecular ion:    106)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.7
      38.0       1.0
      39.0       5.6
      41.0       1.0
      50.0       3.3
      51.0       8.8
      52.0       2.9
      62.0       1.0
      63.0       3.0
      65.0       7.7
      74.0       1.1
      77.0       7.1
      78.0       6.5
      79.0       3.9
      89.0       1.7
      91.0     100.0
      92.0       7.9
     103.0       2.9
     104.0       1.1
     105.0       6.4
     106.0      37.2
     107.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀	9.3 mol% in CDCl₃
ethylbenzene

    Assign.     Shift(ppm)

      A             1.22
      B             2.63
      C           7.0 to 7.45

     Hz     ppm     Int.

    658.00   7.348     30
    652.63   7.288     38
    651.94   7.280     38
    650.94   7.269     73
    650.63   7.265     76
    649.81   7.256    105
    648.25   7.239    107
    645.44   7.207    779
    644.19   7.193    730
    642.06   7.170    122
    641.50   7.163    154
    640.81   7.156    127
    640.06   7.147     92
    639.38   7.140     74
    638.69   7.132     70
    637.94   7.124     63
    637.38   7.117     83
    637.00   7.113     83
    636.06   7.103     62
    247.13   2.760     63
    239.50   2.675    213
    231.94   2.590    236
    224.44   2.507     91
    117.00   1.307    414
    109.63   1.225   1000
    109.19   1.220    622
    107.38   1.199     41
    101.81   1.137    328
    101.31   1.132    178

in CDCl3