98-82-8

Cumene(98-82-8) Raman

Product NameCumene

CAS 98-82-8

Molecular FormulaC9H12

Molecular Weight120.19

InChIInChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N

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

Request For Quotation

Cumene(98-82-8) Raman
Mass

MS-NW-0138          
cumene
C9H12               (Mass of molecular ion:    120)

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

      27.0       3.7
      28.0       1.2
      39.0       5.6
      41.0       3.4
      50.0       2.9
      51.0       9.3
      52.0       2.6
      53.0       1.2
      63.0       2.4
      65.0       2.5
      74.0       1.0
      76.0       1.0
      77.0      13.7
      78.0       5.5
      79.0      11.9
      91.0       5.8
     102.0       1.1
     103.0       7.4
     104.0       2.8
     105.0     100.0
     106.0       9.0
     115.0       1.0
     119.0       1.0
     120.0      26.6
     121.0       2.6

90 MHz in CDCl3

400 MHz in CDCl3

Cumene(98-82-8) Raman

¹H NMR	89.56 MHz
C₉ H₁₂	10.6 mol% in CDCl₃
cumene

    Assign.     Shift(ppm)

      A             1.240
      B             2.876
      C          7.02 to 7.39

     Hz     ppm     Int.

    651.38   7.274     63
    649.69   7.255    111
    646.44   7.218    558
    644.69   7.199    155
    643.75   7.188    120
    643.06   7.181     67
    642.50   7.174     61
    258.06   2.882     57
    114.31   1.277   1000
    107.44   1.200    862

Cumene(98-82-8) Raman

¹H NMR	399.65 MHz
C₉ H₁₂	17.5 mg : 0.5 ml CDCl₃
cumene

    Assign.     Shift(ppm)

      A             7.289
      B             7.231
      C             7.179
      D             2.901
      E             1.253

     Hz     ppm     Int.

   2922.24   7.312     40
   2916.50   7.298     34
   2915.65   7.296     74
   2914.92   7.294     99
   2909.42   7.280     37
   2907.71   7.276    104
   2906.01   7.272     31
   2894.41   7.243     91
   2893.92   7.242     98
   2892.58   7.238    133
   2890.63   7.233     35
   2890.14   7.232     32
   2888.18   7.227     44
   2887.33   7.225     38
   2886.72   7.224     42
   2886.11   7.222     71
   2885.50   7.221     69
   2884.64   7.218     57
   2876.10   7.197     32
   2874.76   7.194     43
   2867.68   7.176     65
   1166.87   2.920     32
   1159.91   2.903     44
   1152.95   2.885     34
    504.39   1.263   1000
    502.20   1.257     48
    500.61   1.253     32
    497.56   1.245    975
    495.24   1.240     49

in CDCl3