4,4'-Cyclohexylidenebisphenol(843-55-0) ¹³C NMR

Product Name4,4'-Cyclohexylidenebisphenol

CAS 843-55-0

Molecular FormulaC18H20O2

Molecular Weight268.35

InChIInChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2

InChIKey SDDLEVPIDBLVHC-UHFFFAOYSA-N

SmilesC1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CCCCC1

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Mass

MS-IW-4877          
4,4'-cyclohexylidenediphenol
C18H20O2            (Mass of molecular ion:    268)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.6
      39.0       2.1
      41.0       1.3
      51.0       1.1
      53.0       1.0
      55.0       2.4
      63.0       1.0
      65.0       2.4
      66.0       1.3
      76.0       1.0
      77.0       3.2
      79.0       2.0
      81.0       1.2
      82.0       1.2
      89.0       1.2
      91.0       2.8
      94.0       7.7
      97.0       3.0
     103.0       1.4
     105.0       1.6
     106.0       1.7
     107.0      19.5
     108.0       1.6
     115.0       2.5
     118.0       1.1
     119.0       1.9
     120.0       1.4
     127.0       1.5
     128.0       1.5
     131.0      24.4
     132.0       3.8
     133.0       2.6
     134.0       1.5
     141.0       1.2
     145.0       5.3
     146.0       3.7
     147.0       1.0
     152.0       1.7
     153.0       1.4
     157.0       2.3
     159.0       2.2
     165.0       2.9
     169.0       1.2
     170.0       1.1
     173.0       1.6
     174.0       9.7
     175.0       3.6
     177.0       1.0
     179.0       1.1
     181.0       2.9
     182.0       1.6
     183.0       1.2
     185.0       5.6
     186.0       1.1
     195.0       1.7
     197.0       9.0
     198.0       2.0
     199.0      25.6
     200.0       3.8
     207.0       1.3
     210.0       2.8
     211.0       4.7
     212.0       6.4
     213.0       1.0
     224.0       1.0
     225.0     100.0
     226.0      17.1
     227.0       1.8
     251.0       5.9
     252.0       1.1
     267.0      10.1
     268.0      91.3
     269.0      17.9
     270.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₂₀ O₂	0.040 g : 0.5 ml DMSO-d₆
4,4'-cyclohexylidenediphenol

    Assign.     Shift(ppm)

      A             9.11
      B             7.040
      C             6.651
      D             2.13
      E             1.42

     Hz     ppm     Int.

   3642.12   9.114   1000
   2818.30   7.052    522
   2811.58   7.036    205
   2809.60   7.031    590
   2806.55   7.023     79
   2665.10   6.669     79
   2662.20   6.662    637
   2655.33   6.645    199
   2653.50   6.640    585
   2650.45   6.632     67
    851.14   2.130    214
    566.41   1.418    299

in DMSO-d6