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939-97-9

对叔丁基苯甲醛(939-97-9)红外图谱(IR)

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

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    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

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

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