95-63-6

1,2,4-Trimethylbenzene(95-63-6) MS

Product Name1,2,4-Trimethylbenzene

CAS 95-63-6

Molecular FormulaC9H12

Molecular Weight120.19

InChIInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

InChIKey GWHJZXXIDMPWGX-UHFFFAOYSA-N

SmilesC1(C)=CC=C(C)C=C1C

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1,2,4-Trimethylbenzene(95-63-6) MS
Mass

MS-NW-0766          
1,2,4-trimethylbenzene
C9H12               (Mass of molecular ion:    120)

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

      39.0       3.3
      50.0       1.7
      51.0       4.4
      52.0       1.4
      53.0       1.9
      57.5       1.5
      58.0       1.0
      59.0       1.9
      63.0       2.5
      65.0       3.2
      77.0       9.1
      78.0       3.2
      79.0       5.7
      89.0       1.0
      91.0       7.9
      92.0       1.4
     102.0       1.0
     103.0       5.4
     104.0       2.7
     105.0     100.0
     106.0       8.7
     115.0       3.3
     117.0       3.0
     118.0       1.2
     119.0      16.1
     120.0      65.8
     121.0       6.3

400 MHz in CDCl3

1,2,4-Trimethylbenzene(95-63-6) MS

¹H NMR	399.65 MHz
C₉ H₁₂	0.05 ml : 0.5 ml CDCl₃
1,2,4-trimethylbenzene

    Assign.     Shift(ppm)

      A             6.984
      B             6.923
      C             6.880
      D     *1      2.258
      E     *1      2.195
      F     *1      2.188

     Hz     ppm     Int.

   2795.17   6.995    192
   2787.84   6.976    233
   2766.72   6.923    242
   2753.17   6.889    156
   2745.48   6.870    111
    912.35   2.283     23
    902.34   2.258    892
    898.93   2.250    132
    894.65   2.239     20
    893.80   2.237     21
    892.82   2.235     21
    891.72   2.232     22
    891.11   2.230     22
    888.43   2.224     24
    877.32   2.196   1000
    876.10   2.193    872
    874.51   2.189    906
    864.99   2.165     43
    864.50   2.164     43
    864.14   2.163     43

in CDCl3