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538-71-6

度米芬(538-71-6)Raman光譜

產(chǎn)品名稱:度米芬

CAS:538-71-6

分子式:C22H40BrNO

分子量: 414.46

InChI:InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey: OJIYIVCMRYCWSE-UHFFFAOYSA-M

Smiles:C1(=CC=CC=C1)OCC[N+](C)(C)CCCCCCCCCCCC.[Br-]

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C22 H40 Br N O 0.040 g : 0.5 ml DMSO-d6
    dodecyldimethyl(2-phenoxyethyl)ammonium bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.337
      B             7.00
      C             4.462
      D             3.819
      E             3.426
      F             3.179
      G             1.720
      J             1.29
      K             1.25
      L             0.858
  

         Hz     ppm     Int.


       2941.04   7.360    119
   2938.60   7.353     44
   2933.11   7.340    163
   2932.13   7.337    163
   2927.61   7.326     45
   2924.93   7.319    163
   2805.54   7.020    370
   2798.46   7.003    254
   2797.24   7.000    239
   2796.39   6.998    201
   2791.99   6.987     52
   2791.02   6.984     65
   1787.72   4.474     89
   1783.33   4.463    122
   1778.81   4.451     94
   1530.52   3.830    100
   1525.63   3.818    126
   1521.12   3.807     95
   1378.17   3.449     80
   1373.05   3.436     63
   1369.87   3.428     74
   1366.33   3.419     65
   1361.33   3.407     84
   1271.00   3.181   1000
    694.70   1.739     48
    691.53   1.731     58
    687.38   1.720     63
    684.81   1.714     57
    680.42   1.703     49
    499.51   1.250    978
    349.98   0.876    130
    343.38   0.860    418
    336.30   0.842    154

in DMSO-d6

in D2O

  • 圖譜

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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  • 圖譜

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