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1806-26-4

4-辛基酚(1806-26-4)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

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nujol mull

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