4-TERT-BUTYLBENZO-18-CROWN-6(14098-26-1) ¹³C NMR

Product Name4-TERT-BUTYLBENZO-18-CROWN-6

CAS 14098-26-1

Molecular Formula

Molecular Weight

InChIInChI=1S/C20H33O6/c1-20(2,3)26-16-14-23-11-10-21-8-9-22-12-13-24-18-6-4-5-7-19(18)25-15-17-26/h4-7H,8-17H2,1-3H3

InChIKey HJPWSZCXEBXUDS-UHFFFAOYSA-N

SmilesO1C2=CC=CC=C2OCCOCCOCCOCCO(C(C)(C)C)CC1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             6.944
      B             6.905
      C             6.815
      D     *1      4.187
      E     *1      4.142
      F     *2      3.93
      G     *2      3.91
      J          3.79 to 3.75
      K          3.74 to 3.70
      L             3.68
      M             1.282
     
     J(A,B)=2.3HZ. J(B,C)=8.4HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      148.65   300      1
      147.09   235      2
      144.81   240      3
      118.17   311      4
      114.30   272      5
      113.18   241      6
       70.96   424      7 *
                        8 *
       70.86  1000      9 *
                       10 *
                       11 *
                       12 *
       69.96   347     13 *
       69.89   285     14 *
       69.69   314     15 *
       69.42   279     16 *
       34.35   307     17
       31.50   799     18

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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Jilin Chinese Academy of Sciences-yanshen Technology

4-TERT-BUTYLBENZO-18-CROWN-6(14098-26-1) 13C NMR

4-TERT-BUTYLBENZO-18-CROWN-6(14098-26-1) ¹³C NMR