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十四醛三聚物(124-25-4)红外图谱(IR1)

产品名称:十四醛三聚物

CAS:124-25-4

分子式:C14H28O

分子量: 212.37

InChI:InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3

InChIKey: UHUFTBALEZWWIH-UHFFFAOYSA-N

Smiles:C(=O)CCCCCCCCCCCCC


  • Mass

    MS-IW-3684          
    tetradecanal
    C14H28O             (Mass of molecular ion:    212)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0      13.7
          28.0       3.1
          29.0      32.6
          31.0       1.1
          39.0      10.5
          40.0       2.1
          41.0      67.4
          42.0      16.8
          43.0      80.7
          44.0      31.0
          45.0      13.1
          53.0       4.8
          54.0      15.6
          55.0      71.1
          56.0      37.2
          57.0     100.0
          58.0       6.7
          59.0       1.0
          66.0       8.8
          67.0      42.1
          68.0      55.2
          69.0      51.0
          70.0      32.8
          71.0      44.0
          72.0       8.9
          73.0       1.2
          79.0       2.6
          80.0       3.0
          81.0      37.6
          82.0      86.3
          83.0      47.3
          84.0      21.2
          85.0      22.7
          86.0       3.1
          93.0       1.1
          94.0       2.3
          95.0      34.5
          96.0      51.6
          97.0      30.2
          98.0      11.9
          99.0       6.6
         109.0      16.7
         110.0      17.6
         111.0      12.1
         112.0       6.8
         113.0       3.3
         123.0       8.7
         124.0      10.4
         125.0       5.9
         126.0       5.1
         127.0       1.9
         137.0       6.7
         138.0       8.9
         139.0       2.5
         140.0       3.9
         151.0       2.2
         152.0       2.8
         166.0       7.6
         167.0       1.1
         168.0      12.2
         169.0       2.0
         184.0       2.0
         194.0       5.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C14 H28 O 0.047 g : 0.5 ml CDCl3
    tetradecanal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.765 B 2.418 C 1.628 D 1.33 to 1.27 E 1.26 F 0.879

         Hz     ppm     Int.
    

       3904.72   9.771     90
       3902.74   9.766    186
       3900.91   9.761     94
        975.34   2.441     72
        973.51   2.436     71
        968.02   2.423    131
        966.19   2.418    133
        960.54   2.404     83
        958.71   2.399     87
        658.11   1.647     46
        650.79   1.629     62
        643.46   1.611     46
        533.91   1.336     40
        519.56   1.301    169
        514.68   1.288    150
        512.24   1.282    166
        503.08   1.259   1000
        358.58   0.898    117
        351.87   0.881    376
        344.70   0.863    148
    

in CDCl3



KBr disc



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