101912-16-7

N-苄基-N,N-二甲基-2-(2-(2-甲基-4-(2,4,4-三甲基戊烷-2-基)苯氧基)乙氧基)乙铵氯化物(101912-16-7)核磁图(¹³CNMR)

产品名称:N-苄基-N,N-二甲基-2-(2-(2-甲基-4-(2,4,4-三甲基戊烷-2-基)苯氧基)乙氧基)乙铵氯化物

CAS:101912-16-7

分子式:C28H44ClNO2

分子量: 462.12

Mass

MS-NW-9119          
benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride
C28H44ClNO2 2H2O    (Mass of molecular ion:    461)

   Source Temperature: 220 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.5
      39.0       1.2
      41.0       1.3
      42.0       1.0
      43.0       1.1
      44.0       1.7
      57.0       3.4
      58.0     100.0
      59.0       4.0
      65.0       2.2
      72.0       6.7
      89.0       2.5
      91.0      17.5
      92.0       1.4
     116.0      13.7
     117.0       1.2
     126.0       3.4
     128.0       1.1
     134.0       5.7
     148.0       1.2
     149.0       1.6
     175.0       1.4
     264.0       1.7
     335.0       1.7

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₄₄ Cl N O₂	0.045 g : 0.5 ml CDCl₃
benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride

    Assign.     Shift(ppm)

      A             7.650
      B             7.42
      C             7.38
      D             7.10
      E             7.09
      F             6.687
      G             5.009
      J             4.12
      K             4.081
      L             3.952
      M             3.888
      N             3.325
      P             3.19
      Q             2.151
      R             1.675
      S             1.313
      T             0.706

     Hz     ppm     Int.

   3060.91   7.659     62
   3054.32   7.643     67
   3052.73   7.639     55
   2966.80   7.424     37
   2959.72   7.406     43
   2954.47   7.393     64
   2948.85   7.379     41
   2947.14   7.375     66
   2837.89   7.101     87
   2830.81   7.084     30
   2676.15   6.697     32
   2001.95   5.010    121
   1645.51   4.118     41
   1645.14   4.117     41
   1644.04   4.114     40
   1643.68   4.113     40
   1642.70   4.111     39
   1635.25   4.092     46
   1632.32   4.085     49
   1630.98   4.082     51
   1628.91   4.076     46
   1626.46   4.070     45
   1583.50   3.963     42
   1582.03   3.959     37
   1581.05   3.957     38
   1578.74   3.951     42
   1574.46   3.940     33
   1558.11   3.899     49
   1555.66   3.893     45
   1553.71   3.888     50
   1552.25   3.885     45
   1549.44   3.877     40
   1329.10   3.326    328
   1276.12   3.194    279
    859.74   2.152    262
    669.43   1.676    160
    525.02   1.314    454
    282.47   0.707   1000

¹H NMR	89.56 MHz
C₂₈ H₄₄ Cl N O₂	0.041 g : 0.5 ml CDCl₃
benzyldimethyl(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride

    Assign.     Shift(ppm)

      A             7.64
      B          7.46 to 7.35
      C          7.12 to 7.03
      D             6.69
      E             5.026
      F          4.13 to 3.85
      G             3.330
      J             3.06
      K             2.149
      L             1.673
      M             1.312
      N             0.708
     
     400MHZ. : HSP-41-752

     Hz     ppm     Int.

    688.31   7.686     34
    684.81   7.647     41
    684.44   7.643     41
    684.00   7.638     39
    680.94   7.604     52
    664.81   7.424     96
    662.88   7.402     88
    659.50   7.364     49
    658.13   7.349     43
    638.13   7.126     34
    637.00   7.113     42
    636.44   7.107     43
    635.63   7.098     37
    634.56   7.086     45
    632.06   7.058     39
    602.50   6.728     47
    450.19   5.027    106
    370.38   4.136     46
    369.81   4.130     48
    367.06   4.099     72
    366.56   4.093     73
    365.69   4.084     71
    364.38   4.069     80
    364.00   4.065     82
    363.38   4.058     75
    363.06   4.054     77
    362.19   4.045     82
    361.63   4.038     81
    360.19   4.022     62
    359.69   4.017     63
    359.31   4.012     63
    358.75   4.006     63
    355.69   3.972     37
    354.81   3.962     36
    352.06   3.931     72
    350.31   3.912     57
    349.75   3.906     59
    347.88   3.885     41
    346.50   3.869     47
    346.13   3.865     45
    298.31   3.331    292
    274.13   3.061     33
    192.63   2.151    255
    150.00   1.675    151
    117.63   1.314    451
     63.44   0.709   1000

in CDCl3

KBr disc

nujol mull

N-苄基-N,N-二甲基-2-(2-(2-甲基-4-(2,4,4-三甲基戊烷-2-基)苯氧基)乙氧基)乙铵氯化物(101912-16-7)核磁图(13CNMR)

N-苄基-N,N-二甲基-2-(2-(2-甲基-4-(2,4,4-三甲基戊烷-2-基)苯氧基)乙氧基)乙铵氯化物(101912-16-7)核磁图(¹³CNMR)