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24305-56-4

4-十二烷基间苯二酚(24305-56-4)核磁图(1HNMR)

分子式:C18H30O2

分子量: 278.43

InChI:InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3

InChIKey: JJWVPHWHEGQZOE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6338          
    4-dodecylresorcinol
    C18H30O2            (Mass of molecular ion:    278)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       5.3
          28.0       1.2
          29.0      10.7
          39.0       4.3
          41.0      17.3
          42.0       2.5
          43.0      13.9
          51.0       1.2
          53.0       2.2
          55.0       4.7
          57.0       2.7
          65.0       2.3
          66.0       1.9
          67.0       5.0
          69.0       2.5
          77.0       3.5
          79.0       1.3
          81.0       1.2
          91.0       1.3
          94.0       1.6
          95.0       3.5
         107.0       1.4
         110.0       1.4
         123.0     100.0
         124.0       6.2
         136.0       3.0
         137.0       1.1
         149.0       1.7
         278.0      14.8
         279.0       2.3
    

400 MHz at 50C

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    1H NMR 399.65 MHz
    C18 H30 O2 0.040 g : 0.5 ml CDCl3 at 50 C
    4-dodecylresorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.925 B 6.336 C 6.295 D *1 4.82 E *1 4.78 F 2.497 G 1.556 J 1.31 K 1.26 L 0.878

         Hz     ppm     Int.
    

       2771.85   6.936     97
       2763.79   6.916    105
       2537.72   6.350     71
       2535.28   6.344     91
       2529.66   6.330     62
       2527.10   6.324     91
       2516.97   6.298    145
       2514.65   6.293    111
       1925.78   4.819     62
       1908.45   4.776     83
       1005.86   2.517     86
        998.29   2.498    106
        990.48   2.479     96
        630.00   1.577     33
        622.80   1.559     53
        615.23   1.540     43
        522.46   1.308    125
        513.67   1.286    102
        503.66   1.261   1000
        358.15   0.897     97
        351.44   0.880    340
        344.48   0.862    126
    

in CDCl3

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KBr disc

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nujol mull

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