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122-03-2

4-异丙基苯甲醛(122-03-2)Raman光谱

产品名称:4-异丙基苯甲醛

CAS:122-03-2

分子式:C10H12O

分子量: 148.2

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

InChIKey: WTWBUQJHJGUZCY-UHFFFAOYSA-N

Smiles:C1(C(C)C)C=CC(C=O)=CC=1

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    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

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

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liquid film

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4880 A,200 M,liquid

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