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1806-26-4

4-辛基酚(1806-26-4)红外图谱(IR2)

产品名称:4-辛基酚

CAS:1806-26-4

分子式:C14H22O

分子量: 206.32

InChI:InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3

InChIKey: NTDQQZYCCIDJRK-UHFFFAOYSA-N

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

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    Mass

    MS2003-02039WA      
    p-octylphenol
    C14H22O             (Mass of molecular ion:    206)
    

       Source Temperature: 250 °C
       Sample Temperature: 270 °C
       Reservoir, 70 eV
    

          27.0       1.0
          29.0       1.3
          39.0       1.1
          41.0       2.1
          43.0       1.2
          77.0       4.6
          78.0       1.5
          91.0       1.3
          94.0       1.2
         107.0     100.0
         108.0       8.9
         120.0       2.1
         121.0       1.1
         206.0      17.7
         207.0       2.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C14 H22 O 0.041 g : 0.5 ml CDCl3
    p-octylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.024 B 6.741 C 5.22 D 2.515 E 1.555 F 1.28 G 0.874

         Hz     ppm     Int.
    

       2814.82   7.044     72
       2814.21   7.042     65
       2811.89   7.036    484
       2809.81   7.031    178
       2805.54   7.020    192
       2803.34   7.015    558
       2800.54   7.008     71
       2701.17   6.759    102
       2698.24   6.752    718
       2696.17   6.747    232
       2691.89   6.736    215
       2689.70   6.731    623
       2686.77   6.723     71
       2086.06   5.220    745
       1012.94   2.535    275
       1005.37   2.516    334
       1000.73   2.505     41
        997.44   2.496    294
        636.47   1.593     39
        634.89   1.589     37
        629.03   1.574    119
        621.58   1.556    164
        615.84   1.541    105
        614.01   1.537    125
        606.57   1.518     45
        516.97   1.294    584
        511.84   1.281    612
        502.69   1.258    578
        356.45   0.892    318
        349.61   0.875   1000
        342.53   0.858    381
    

in CDCl3

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KBr disc

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nujol mull

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