tert-Butylbenzene(98-06-6) Raman

Product Nametert-Butylbenzene

CAS 98-06-6

Molecular FormulaC10H14

Molecular Weight134.22

InChIInChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey YTZKOQUCBOVLHL-UHFFFAOYSA-N

SmilesC1(C(C)(C)C)=CC=CC=C1

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Mass

MS-NW-0747          
tert-butylbenzene
C10H14              (Mass of molecular ion:    134)

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

      27.0       2.5
      28.0       1.2
      29.0       2.1
      39.0       6.2
      41.0      16.3
      42.0       1.5
      43.0       1.6
      50.0       2.2
      51.0       6.4
      52.0       1.6
      53.0       1.1
      55.0       1.2
      56.0       1.4
      57.0       2.8
      57.5       2.5
      58.0       2.6
      58.5       1.0
      59.5       1.0
      63.0       1.9
      65.0       3.8
      77.0       8.2
      78.0       4.1
      79.0       9.0
      91.0      47.8
      92.0       3.9
     102.0       1.2
     103.0       4.5
     104.0       1.3
     115.0       3.1
     117.0       2.5
     118.0       1.2
     119.0     100.0
     120.0      10.0
     134.0      27.1
     135.0       2.9
     175.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄	10.0 mol% in CDCl₃
tert-butylbenzene

    Assign.     Shift(ppm)

      A             1.310
      B          7.01 to 7.46

     Hz     ppm     Int.

    664.38   7.419     22
    660.25   7.373     28
    659.19   7.361     35
    658.63   7.355     59
    657.69   7.344     70
    657.19   7.338     66
    656.56   7.331    102
    654.19   7.305     28
    653.13   7.293     29
    651.63   7.276     83
    650.63   7.265    101
    648.44   7.241     31
    645.25   7.205     48
    644.13   7.193     34
    643.56   7.186     27
    642.88   7.179     47
    642.50   7.174     42
    640.69   7.154     42
    636.63   7.109     28
    117.25   1.310   1000

in CDCl3