5736-88-9

4-丁氧基苯甲醛(5736-88-9)紅外圖譜(IR1)

產(chǎn)品名稱:4-丁氧基苯甲醛

CAS:5736-88-9

分子式:C11H14O2

分子量: 178.23

InChI:InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3

InChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-N

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

Mass

MS-NW-9564          
p-butoxybenzaldehyde
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.5
      29.0      11.1
      39.0       5.6
      41.0      12.9
      50.0       1.3
      51.0       3.7
      55.0       1.9
      56.0       4.0
      57.0       9.8
      63.0       1.4
      65.0       6.8
      66.0       1.0
      76.0       1.0
      77.0       5.1
      93.0       5.4
      94.0       2.0
      95.0       2.1
     105.0       2.6
     121.0     100.0
     122.0      62.8
     123.0      16.1
     124.0       1.3
     135.0       1.5
     178.0      31.5
     179.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
p-butoxybenzaldehyde

    Assign.     Shift(ppm)

      A             9.858
      B             7.807
      C             6.974
      D             4.019
      E             1.778
      F             1.492
      G             0.977

     Hz     ppm     Int.

   3939.97   9.859    621
   3127.29   7.826     80
   3124.54   7.819    561
   3122.56   7.814    193
   3120.27   7.808     31
   3117.83   7.802    197
   3115.69   7.797    586
   3113.10   7.790     89
   2794.04   6.992     70
   2791.44   6.985    490
   2789.46   6.980    167
   2784.58   6.968    159
   2782.75   6.963    464
   2780.00   6.957     69
   1612.85   4.036    340
   1606.45   4.020    638
   1599.88   4.004    352
    725.86   1.817     77
    719.45   1.801    195
    716.25   1.793     71
    713.04   1.785    193
    712.13   1.782    225
    710.60   1.779    155
    709.84   1.777    149
    705.41   1.766    121
    704.19   1.763    214
    697.78   1.746    101
    615.39   1.540     51
    607.91   1.522    165
    602.26   1.507     98
    600.43   1.503    240
    594.79   1.489    103
    592.80   1.484    249
    587.46   1.470     51
    585.48   1.465    163
    578.00   1.447     51
    397.64   0.995    572
    390.32   0.977   1000
    382.84   0.958    499

in CDCl3