2-Methylbenzaldehyde(529-20-4) MS

Product Name2-Methylbenzaldehyde

CAS 529-20-4

Molecular FormulaC8H8O

Molecular Weight120.15

InChIInChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3

InChIKey BTFQKIATRPGRBS-UHFFFAOYSA-N

SmilesC(=O)C1=CC=CC=C1C

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Mass

MS-NW-1492          
o-tolualdehyde
C8H8O               (Mass of molecular ion:    120)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.7
      28.0       1.4
      29.0       2.2
      37.0       1.9
      38.0       3.8
      39.0      19.9
      40.0       1.8
      41.0       4.1
      43.0       1.2
      45.0       1.1
      50.0       6.9
      51.0       9.9
      52.0       2.0
      53.0       1.0
      59.0       1.4
      61.0       2.4
      62.0       5.6
      63.0      13.2
      64.0       3.4
      65.0      26.6
      66.0       1.8
      74.0       2.0
      75.0       1.3
      77.0       1.4
      86.0       1.4
      87.0       1.0
      89.0       7.9
      90.0       4.3
      91.0     100.0
      92.0      10.3
     119.0      94.6
     120.0      79.0
     121.0       7.1
     136.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ O	0.097 g : 0.5 ml CDCl₃
o-tolualdehyde

    Assign.     Shift(ppm)

      A            10.235
      B             7.768
      C             7.447
      D             7.334
      E             7.231
      F             2.641

     Hz     ppm     Int.

   4090.58  10.236    569
   3108.98   7.780    175
   3107.60   7.776    148
   3101.35   7.761    187
   3099.98   7.757    160
   2985.08   7.470     93
   2983.86   7.467     82
   2977.75   7.451    199
   2976.23   7.448    165
   2970.12   7.432    148
   2968.90   7.429    124
   2939.00   7.354     97
   2938.39   7.353    116
   2937.93   7.352    114
   2930.91   7.334    175
   2930.30   7.333    176
   2923.28   7.315     77
   2922.21   7.312     70
   2892.91   7.239    187
   2885.44   7.220    160
   2884.98   7.219    154
   1055.45   2.641   1000

in CDCl3