939-97-9

对叔丁基苯甲醛(939-97-9)核磁图(¹³CNMR)

产品名称:对叔丁基苯甲醛

CAS:939-97-9

分子式:C11H14O

分子量: 162.23

InChI:InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

InChIKey: OTXINXDGSUFPNU-UHFFFAOYSA-N

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

Mass

MS-IW-8147          
p-tert-butylbenzaldehyde
C11H14O             (Mass of molecular ion:    162)

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

      27.0       1.1
      29.0       1.3
      39.0       3.7
      41.0      10.1
      50.0       1.5
      51.0       4.1
      57.0       1.4
      58.0       1.2
      63.0       1.6
      65.0       2.6
      72.0       1.1
      75.0       1.2
      76.0       1.0
      77.0       6.4
      78.0       1.5
      79.0       5.5
      89.0       1.2
      91.0      29.7
      92.0       2.4
     102.0       1.1
     103.0       2.9
     104.0       1.0
     105.0       1.7
     115.0       4.7
     116.0       1.2
     117.0       2.5
     118.0       2.0
     119.0      24.9
     120.0       2.3
     131.0       1.2
     135.0       1.6
     145.0       1.4
     147.0     100.0
     148.0      11.3
     161.0       1.1
     162.0      23.2
     163.0       7.6

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             9.975
      B             7.816
      C             7.547
      D             1.347

     Hz     ppm     Int.

   3986.82   9.976    200
   3130.19   7.833     32
   3128.36   7.828    162
   3126.22   7.823     60
   3121.64   7.811     70
   3119.66   7.806    185
   3117.68   7.802     35
   3022.00   7.562     33
   3020.17   7.558    161
   3018.49   7.553     54
   3013.46   7.541     53
   3011.93   7.537    136
   3009.95   7.532     25
    538.33   1.348   1000
    527.34   1.320     24

in CDCl3