Product Name9-Phenoxyphenanthrene

CAS

Molecular FormulaC20H14O

Molecular Weight270.32456

InChIInChI=1S/C20H14O/c1-2-9-16(10-3-1)21-20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14H

InChIKey HNEOMEDYKKTSAC-UHFFFAOYSA-N

SmilesC1=C2C(C3=C(C(OC4=CC=CC=C4)=C2)C=CC=C3)=CC=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A     *1      8.713
      B     *1      8.643
      C             8.350
      D     *2      7.71
      E             7.69
      F     *2      7.635
      G     *3      7.56
      J     *3      7.54
      K             7.381
      L             7.16
      M             7.14
      N             7.110
     
     CONFIRMED BY LAOCN PROGRAM.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      157.33   180      1
      151.64   180      2
      132.23   250      3
      131.72   180      4
      129.81   940      5
      127.73   530      6
      127.65   240      7
      127.28   510      8
      126.93   210      9
      126.86   530     10 *
      126.66   490     11 *
      125.30   510     12
      123.43   480     13
      122.71   900     14
      122.52   450     15
      119.08  1000     16
      111.44   450     17
     
     10005

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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