96757-94-7

4'-(2-Methylbutyl)-1,1'-biphenyl-4-carboxylic acid 4-heptyloxyphenyl ester(96757-94-7) IR1

Product Name4'-(2-Methylbutyl)-1,1'-biphenyl-4-carboxylic acid 4-heptyloxyphenyl ester

Molecular FormulaC31H38O3

Molecular Weight

InChIInChI=1S/C31H38O3/c1-4-6-7-8-9-22-33-29-18-20-30(21-19-29)34-31(32)28-16-14-27(15-17-28)26-12-10-25(11-13-26)23-24(3)5-2/h10-21,24H,4-9,22-23H2,1-3H3

InChIKey OHTYIECDHIGMOE-UHFFFAOYSA-N

SmilesC1(C2=CC=C(CC(C)CC)C=C2)=CC=C(C(OC2=CC=C(OCCCCCCC)C=C2)=O)C=C1

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¹HNMR

¹³CNMR

IR1

4'-(2-Methylbutyl)-1,1'-biphenyl-4-carboxylic acid 4-heptyloxyphenyl ester(96757-94-7) IR1

    Assign.     Shift(ppm)

      A             8.240
      B             7.717
      C             7.570
      D             7.259
      E             7.128
      F             6.935
      G             3.961
      J     *1      2.691
      K     *1      2.430
      L             1.790
      M             1.69
      N             1.46
      P     *2      1.42
      Q             1.36
      R          1.35 to 1.30
      S     *2      1.21
      T             0.93
      U             0.90
      V             0.89
     
     J(J,K)=13.3HZ. J(M,J)=6.1HZ. J(M,K)=8.1HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

4'-(2-Methylbutyl)-1,1'-biphenyl-4-carboxylic acid 4-heptyloxyphenyl ester(96757-94-7) IR1

       ppm   Int.  Assign.

      165.47   215      1
      156.94   302      2
      146.21   277      3
      144.40   249      4
      142.15   317      5
      137.19   244      6
      130.64   760      7
      129.82   757      8
      128.14   247      9
      127.00  1000     10 *
      126.94   750     11 *
      122.40   777     12
      115.19   755     13
       68.52   365     14
       43.01   365     15
       36.67   384     16
       31.80   376     17
       29.32   416     18 #
       29.25   417     19 #
       29.08   415     20 #
       26.04   359     21
       22.62   380     22
       19.00   343     23
       14.07   364     24
       11.48   324     25

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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