p-Tolualdehyde(104-87-0) IR1

Product Namep-Tolualdehyde

CAS 104-87-0

Molecular FormulaC8H8O

Molecular Weight120.15

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

InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(C)C=C1

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Mass

MS-NW-8339          
p-tolualdehyde
C8H8O               (Mass of molecular ion:    120)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       2.4
      29.0       1.8
      37.0       1.6
      38.0       3.5
      39.0      19.4
      40.0       1.8
      41.0       3.9
      50.0       6.7
      51.0      10.1
      52.0       1.8
      53.0       1.2
      61.0       2.4
      62.0       5.6
      63.0      13.7
      64.0       3.3
      65.0      29.7
      66.0       2.0
      74.0       2.0
      75.0       1.3
      77.0       1.4
      86.0       1.4
      87.0       1.1
      89.0       8.4
      90.0       4.2
      91.0     100.0
      92.0      11.1
     119.0      96.1
     120.0      91.0
     121.0       8.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O	0.04 ml : 0.5 ml CDCl₃
p-tolualdehyde

    Assign.     Shift(ppm)

      A             9.953
      B             7.76
      C             7.32
      D             2.425

     Hz     ppm     Int.

    891.50   9.955    391
    699.90   7.815    204
    698.29   7.797     81
    693.82   7.747     83
    691.85   7.725    337
    690.23   7.707     59
    659.77   7.367    165
    659.25   7.361    231
    658.67   7.355    219
    658.08   7.348    132
    657.35   7.340     84
    656.62   7.332     62
    653.25   7.294     53
    652.59   7.287     66
    652.00   7.281    106
    651.34   7.273    164
    650.68   7.266    190
    650.24   7.261    123
    649.58   7.254     53
    648.93   7.246     32
    217.60   2.430    836
    217.24   2.426   1000
    216.94   2.423    810
    216.58   2.419    603

in CDCl3