4,4'-Oxydiphenol(1965-09-9) ¹³C NMR

Product Name4,4'-Oxydiphenol

CAS 1965-09-9

Molecular FormulaC12H10O3

Molecular Weight202.21

InChIInChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey NZGQHKSLKRFZFL-UHFFFAOYSA-N

SmilesO(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Mass

MS-IW-3631          
4,4'-oxydiphenol
C12H10O3            (Mass of molecular ion:    202)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.7
      38.0       1.0
      39.0       6.8
      51.0       1.3
      53.0       3.5
      55.0       1.5
      63.0       3.1
      64.0       1.7
      65.0       8.6
      66.0       1.5
      81.0       5.2
      91.0       1.1
      92.0       1.1
      93.0       2.0
      94.0      12.0
     101.0       2.6
     109.0      12.1
     110.0       4.9
     115.0       1.3
     117.0       1.9
     118.0       1.0
     120.0       1.3
     121.0       1.0
     127.0       2.0
     128.0       1.2
     131.0       2.5
     145.0       4.8
     147.0       2.4
     157.0       1.5
     173.0       5.6
     201.0       3.1
     202.0     100.0
     203.0      13.3
     204.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₃	0.052 g : 0.5 ml DMSO-d₆
4,4'-oxydiphenol

    Assign.     Shift(ppm)

      A             9.24
      B     *1      6.786
      C     *1      6.744

     Hz     ppm     Int.

   3693.08   9.241    802
   2722.93   6.814     23
   2721.86   6.811     36
   2718.81   6.803    366
   2716.22   6.797    172
   2712.25   6.787    248
   2709.81   6.781   1000
   2706.76   6.773    171
   2701.87   6.761    163
   2698.97   6.754    997
   2696.38   6.747    261
   2692.41   6.737    184
   2689.82   6.731    404
   2686.77   6.723     54

in DMSO-d6