Product NameBENZYLDIMETHYL(2-(2-(2-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)AMMONIUMCHLORIDE

CAS

Molecular FormulaC28H44ClNO2

Molecular Weight462.10746

InChIInChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1

InChIKey QWZLBLDNRUUYQI-UHFFFAOYSA-M

Smiles[N+](CC1=CC=CC=C1)(C)(C)CCOCCOC1=CC=C(C(C)(C)CC(C)(C)C)C=C1C.[Cl-]

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¹HNMR

¹³CNMR

IR1

    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

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      154.27   276      1
      142.62   252      2
      133.52   719      3
      130.62   259      4
      129.12   671      5
      128.90   255      6
      127.58   326      7
      125.42   294      8
      124.25   303      9
      110.53   339     10
       70.25   309     11 *
       69.11   153     12
       67.21   288     13 *
       65.46   273     14 *
       62.81   205     15
       56.97   370     16
       50.55   290     17
       37.90   349     18
       32.35   440     19
       31.82  1000     20
       31.65   698     21
       16.61   370     22

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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