4-METHYLBENZO-15-CROWN-5(32702-27-5) IR1

Product Name4-METHYLBENZO-15-CROWN-5

CAS 32702-27-5

Molecular FormulaC15H22O5

Molecular Weight282.33

InChIInChI=1S/C15H22O5/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14/h2-3,12H,4-11H2,1H3

InChIKey HCQGDZNYDMLVRI-UHFFFAOYSA-N

SmilesO1C2=CC=C(C)C=C2OCCOCCOCCOCC1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             6.767
      B             6.70
      C             6.69
      D          4.14 to 4.09
      E          3.92 to 3.87
      F          3.79 to 3.72
      G             2.270

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      149.21   362      1
      147.14   334      2
      131.23   385      3
      121.62   545      4
      115.54   506      5 *
      114.86   494      6 *
       71.13  1000      7
                        8
       70.74   512      9 #
       70.69   634     10 #
       69.86   518     11 #
       69.79   613     12 #
       69.64   499     13 #
       69.23   497     14 #
       20.92   419     15

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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