4'-(Octyloxy)biphenyl-4-carboxylic acid 4-(2-methylbutoxy)phenyl ester(95049-24-4) ¹H NMR

Product Name4'-(Octyloxy)biphenyl-4-carboxylic acid 4-(2-methylbutoxy)phenyl ester

Molecular FormulaC32H40O4

Molecular Weight

InChIInChI=1S/C32H40O4/c1-4-6-7-8-9-10-23-34-29-17-15-27(16-18-29)26-11-13-28(14-12-26)32(33)36-31-21-19-30(20-22-31)35-24-25(3)5-2/h11-22,25H,4-10,23-24H2,1-3H3

InChIKey IXGWHDVMJXPFPL-UHFFFAOYSA-N

SmilesC1(C2=CC=C(OCCCCCCCC)C=C2)=CC=C(C(OC2=CC=C(OCC(C)CC)C=C2)=O)C=C1

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¹HNMR

¹³CNMR

    Assign.     Shift(ppm)

      A             8.213
      B             7.67
      C             7.58
      D             7.11
      E             7.00
      F             6.94
      G             4.000
      J     *1      3.82
      K     *1      3.77
      L          1.96 to 1.70
      M     *2      1.55
      N     *2   1.49 to 1.21
      P             1.022
      Q             0.95
      R             0.89
     
     400MHZ : HSP-41-821

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      165.48   247      1
      159.57   343      2
      157.07   283      3
      145.85   315      4
      144.32   322      5
      132.04   335      6
      130.65   915      7
      128.36   904      8
      127.68   344      9
      126.54   943     10
      122.38  1000     11
      115.15   862     12 *
      115.01   986     13 *
       73.34   393     14
       68.18   394     15
       34.76   413     16
       31.82   415     17
       29.36   478     18 #
       29.26   669     19 #
                       20 #
       26.15   424     21 *1
       26.08   355     22 *1
       22.67   383     23
       16.54   327     24
       14.08   332     25
       11.31   331     26

Spectral Code: 13C NMR : in CDCl3

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4'-(Octyloxy)biphenyl-4-carboxylic acid 4-(2-methylbutoxy)phenyl ester(95049-24-4) 1H NMR

4'-(Octyloxy)biphenyl-4-carboxylic acid 4-(2-methylbutoxy)phenyl ester(95049-24-4) ¹H NMR