4-TERT-BUTYLBENZO-15-CROWN-5(15196-73-3) ¹H NMR

Product Name4-TERT-BUTYLBENZO-15-CROWN-5

CAS 15196-73-3

Molecular FormulaC18H28O5

Molecular Weight324.41

InChIInChI=1S/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3

InChIKey LNNVNAOXLAULPK-UHFFFAOYSA-N

SmilesO1C2=CC=C(C(C)(C)C)C=C2OCCOCCOCCOCC1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             6.929
      B             6.903
      C             6.803
      D     *1      4.164
      E     *1      4.123
      F     *2      3.92
      G     *2      3.90
      J          3.81 to 3.71
      K             1.284

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      148.80   242      1
      147.21   254      2
      144.76   245      3
      118.12   313      4
      114.08   305      5
      112.92   330      6
       71.15   379      7
                        8
       70.83   364      9 *
       70.76   356     10 *
       69.93   317     11 *
       69.86   405     12 *
       69.69   377     13 *
       69.40   315     14 *
       34.35   284     15
       31.53  1000     16

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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4-TERT-BUTYLBENZO-15-CROWN-5(15196-73-3) 1H NMR

4-TERT-BUTYLBENZO-15-CROWN-5(15196-73-3) ¹H NMR