479-33-4

Tetraphenylcyclopentadienone(479-33-4) ¹³C NMR

Product NameTetraphenylcyclopentadienone

Molecular FormulaC29H20O

Molecular Weight384.47

InChIInChI=1S/C29H20O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20H

InChIKey PLGPSDNOLCVGSS-UHFFFAOYSA-N

SmilesC1(=O)C(C2=CC=CC=C2)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1

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Tetraphenylcyclopentadienone(479-33-4) <sup>13</sup>C NMR
Mass

MS-NW-7038          
tetraphenylcyclopentadienone
C29H20O             (Mass of molecular ion:    384)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      39.0       1.5
      51.0       2.9
      63.0       1.3
      76.0       1.1
      77.0       2.9
      78.0       1.3
      89.0       1.2
     102.0       1.1
     105.0       1.2
     115.0       1.0
     126.0       3.3
     137.0       1.0
     138.0       3.1
     138.5       1.3
     139.0       4.0
     150.0       3.1
     151.0       4.7
     152.0       7.1
     153.0       2.6
     156.5       1.6
     162.0       1.7
     163.0       3.2
     165.0       1.9
     168.5       1.9
     169.0       1.5
     169.5       2.8
     170.0       2.0
     174.0       1.2
     175.0       2.9
     175.5       1.6
     176.0      10.0
     177.0       6.8
     178.0      94.5
     179.0      14.8
     180.0       1.2
     192.0       1.5
     200.0       1.1
     202.0       1.6
     250.0       1.2
     252.0       1.8
     263.0       1.4
     265.0       2.1
     267.0       2.7
     274.0       1.7
     276.0       7.1
     277.0       5.5
     278.0       8.8
     279.0       7.2
     280.0       1.7
     289.0       1.0
     305.0       1.5
     306.0       1.8
     307.0       4.5
     308.0       1.1
     326.0       1.5
     339.0       1.9
     340.0       1.0
     350.0       1.6
     351.0       1.1
     352.0       2.0
     353.0       1.7
     354.0       1.4
     355.0       3.2
     356.0      37.5
     357.0      11.5
     358.0       2.0
     383.0       2.4
     384.0     100.0
     385.0      31.9
     386.0       6.7
     387.0       1.1

400 MHz in CDCl3

Tetraphenylcyclopentadienone(479-33-4) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₂₉ H₂₀ O	0.039 g : 0.5 ml CDCl₃
tetraphenylcyclopentadienone

    Assign.     Shift(ppm)

      A             7.23
      B             7.156
      C             6.923

     Hz     ppm     Int.

   2899.54   7.256     41
   2898.32   7.253     75
   2896.97   7.249     56
   2896.12   7.247     54
   2894.17   7.242    200
   2891.11   7.235    435
   2887.94   7.227   1000
   2885.74   7.221    292
   2884.77   7.219    235
   2883.42   7.215    321
   2882.08   7.212    220
   2880.62   7.208    101
   2879.88   7.207     86
   2878.91   7.204     89
   2877.69   7.201     53
   2877.08   7.200     59
   2875.73   7.196     38
   2867.80   7.176    216
   2866.33   7.173    109
   2861.57   7.161    188
   2860.11   7.157    361
   2854.61   7.143     70
   2852.91   7.139    181
   2851.81   7.136    110
   2773.19   6.940     45
   2771.24   6.935    270
   2770.14   6.932    323
   2765.01   6.919     88
   2763.06   6.914    326
   2761.60   6.911    242

in CDCl3