Product NameAcetic acid 2,6-di(sec-butyl)phenyl ester

CAS

Molecular FormulaC16H24O2

Molecular Weight248.36056

InChIInChI=1S/C16H24O2/c1-6-11(3)14-9-8-10-15(12(4)7-2)16(14)18-13(5)17/h8-12H,6-7H2,1-5H3

InChIKey ZBIBSPIUTJIDSM-UHFFFAOYSA-N

SmilesC(OC1=C(C(C)CC)C=CC=C1C(C)CC)(=O)C

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             7.16
      B             7.10
      C             2.64
      D             2.32
      E             1.56
      F             1.180
      G             0.83

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      169.47   215      1
      146.55   186      2
      139.37   508      3
      126.34   500      4
      124.23  1000      5
       34.71   357      6
       31.10    46      7
       20.86    74      8
       20.63   821      9
       12.33   243     10
       12.25   263     10

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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