104586-47-2

4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester(104586-47-2) ¹³C NMR

Product Name4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester

Molecular Formula

Molecular Weight

InChIInChI=1S/C36H48O4/c1-4-6-8-10-11-12-14-28-38-33-22-16-30(17-23-33)31-18-24-35(25-19-31)40-36(37)32-20-26-34(27-21-32)39-29(3)15-13-9-7-5-2/h16-27,29H,4-15,28H2,1-3H3

InChIKey SMFDXFVJGDGEAD-UHFFFAOYSA-N

SmilesC(OC1=CC=C(C2=CC=C(OCCCCCCCCC)C=C2)C=C1)(=O)C1=CC=C(OC(C)CCCCCC)C=C1

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¹HNMR

¹³CNMR

4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester(104586-47-2) <sup>13</sup>C NMR

    Assign.     Shift(ppm)

      A             8.142
      B             7.55
      C             7.50
      D             7.24
      E             6.96
      F             4.48
      G             3.984
      J          2.01 to 1.40
      K          1.40 to 1.17
      L             1.331
      M             0.89
     
     400MHZ : HSP-41-822

Spectral Code: 1H NMR : 90 MHz in CDCl3

4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester(104586-47-2) <sup>13</sup>C NMR

       ppm   Int.  Assign.

      165.00   277      1
      162.78   364      2
      158.77   339      3
      150.04   297      4
      138.53   331      5
      132.84   361      6
      132.33   910      7
      128.07   804      8 *
      127.66   958      9 *
      121.96   874     10
      121.36   327     11
      115.23   911     12 #
      114.84  1000     13 #
       74.17   473     14
       68.13   415     15
       36.34   431     16
       31.89   491     17 *1
       31.77   423     18 *1
       29.55   482     19 #1
       29.43   478     20 #1
       29.26   531     21 #1
                       22
                       23
       26.08   425     24
       25.42   355     25
       22.67   432     26 *2
       22.60   418     27 *2
       19.61   329     28
       14.11   478     29
                       30

Spectral Code: 13C NMR : in CDCl3

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4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester(104586-47-2) 13C NMR

4-[(1-Methylheptyl)oxy]benzoic acid 4'-(nonyloxy)biphenyl-4-yl ester(104586-47-2) ¹³C NMR