40150-98-9

4-异丁基苯甲醛(40150-98-9)红外图谱(IR1)

产品名称:4-异丁基苯甲醛

CAS:40150-98-9

分子式:C11H14O

分子量: 162.23

InChI:InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3

InChIKey: LXPWGAZYJHUWPM-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=C(CC(C)C)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4789          
p-isobutylbenzaldehyde
C11H14O             (Mass of molecular ion:    162)

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

      27.0       4.6
      29.0       1.2
      39.0       6.3
      41.0      10.3
      43.0      30.9
      44.0       1.0
      50.0       1.6
      51.0       4.3
      55.0       1.0
      58.0       1.3
      63.0       3.7
      64.0       1.3
      65.0       7.2
      72.0       1.3
      77.0       4.0
      78.0       1.1
      89.0       4.9
      90.0       5.9
      91.0      50.3
      92.0      16.8
      93.0       1.2
     103.0       1.3
     105.0       1.4
     107.0       2.3
     115.0       4.5
     116.0       1.2
     117.0       1.7
     118.0       2.7
     119.0      27.3
     120.0     100.0
     121.0       9.2
     131.0       1.0
     133.0       1.5
     136.0       3.5
     145.0       1.2
     147.0       1.3
     161.0       1.8
     162.0      47.2
     163.0       6.1
     178.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
p-isobutylbenzaldehyde

    Assign.     Shift(ppm)

      A             9.962
      B             7.789
      C             7.290
      D             2.540
      E             1.901
      F             0.904

     Hz     ppm     Int.

   3981.63   9.963    334
   3118.90   7.805     45
   3117.22   7.800    230
   3115.54   7.796     92
   3110.81   7.784     90
   3108.98   7.780    262
   2917.79   7.301    207
   2909.70   7.281    203
   1018.98   2.550    247
   1011.81   2.532    271
    773.77   1.937     30
    766.75   1.919     57
    760.04   1.902     73
    753.33   1.885     60
    746.46   1.868     31
    364.99   0.914    967
    358.28   0.897   1000

in CDCl3