122-03-2

Cuminaldehyde(122-03-2) Raman

Product NameCuminaldehyde

CAS 122-03-2

Molecular FormulaC10H12O

Molecular Weight148.2

InChIInChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

InChIKey WTWBUQJHJGUZCY-UHFFFAOYSA-N

SmilesC1(C(C)C)C=CC(C=O)=CC=1

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Cuminaldehyde(122-03-2) Raman
Mass

MS-NW-3671          
p-isopropylbenzaldehyde
C10H12O             (Mass of molecular ion:    148)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0       8.6
      28.0       1.0
      29.0       2.9
      38.0       1.4
      39.0       9.8
      41.0      11.3
      43.0       1.4
      50.0       6.3
      51.0      15.6
      52.0       3.4
      53.0       2.8
      55.0       1.1
      62.0       1.9
      63.0       5.2
      64.0       1.3
      65.0       5.4
      66.0       1.2
      74.0       2.8
      75.0       2.7
      76.0       3.1
      77.0      28.9
      78.0       7.6
      79.0      21.2
      80.0       1.6
      89.0       2.0
      90.0       1.5
      91.0      22.0
      92.0       2.2
     101.0       1.0
     102.0       3.1
     103.0      15.2
     104.0       6.1
     105.0      68.0
     106.0       6.4
     107.0       1.7
     115.0       5.8
     116.0       1.3
     117.0       5.2
     118.0       1.4
     119.0      29.0
     120.0       3.6
     129.0       1.8
     130.0       1.1
     131.0       3.6
     132.0       4.4
     133.0     100.0
     134.0       9.8
     135.0       1.8
     147.0      11.0
     148.0      66.5
     149.0       7.9
     150.0       1.2

90 MHz in CDCl3

Cuminaldehyde(122-03-2) Raman

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
p-isopropylbenzaldehyde

    Assign.     Shift(ppm)

      A             9.96
      B             7.80
      C             7.38
      D             2.97
      E             1.278

     Hz     ppm     Int.

    892.31   9.964    262
    703.49   7.855    143
    701.66   7.835     56
    697.05   7.784     64
    695.14   7.762    227
    693.53   7.744     41
    664.45   7.420    193
    663.94   7.414    160
    662.84   7.402     49
    662.40   7.397     55
    657.86   7.346     43
    656.40   7.330    113
    655.96   7.325    122
    274.15   3.062     30
    267.11   2.983     44
    260.16   2.905     36
    117.63   1.314   1000
    110.74   1.237    867

in CDCl3