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2-tert-Butylanthraquinone

Product Name 2-tert-Butylanthraquinone

CAS84-47-9

MFC18H16O2

MW264.32

¹³CNMR

Mass

MS-NW-2568          
2-tert-butylanthraquinone
C18H16O2            (Mass of molecular ion:    264)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.4
      27.0       1.4
      28.0       1.1
      29.0       2.3
      39.0       4.1
      41.0      13.1
      50.0       2.8
      51.0       2.5
      57.0       1.3
      63.0       2.5
      69.5       1.4
      74.0       2.4
      75.0       4.5
      76.0       5.2
      77.0       4.4
      82.0       1.7
      82.5       5.3
      87.0       1.3
      88.0       3.5
      89.0       2.2
      91.0       3.4
      94.5       1.1
      96.0       1.3
      96.5       1.6
     101.0       1.3
     102.0       1.1
     103.0       1.0
     104.0       1.0
     105.0       2.8
     110.0       2.9
     110.5       1.2
     115.0       6.4
     116.0       1.5
     117.0       3.7
     118.0       1.2
     124.5       1.1
     126.0       1.1
     133.0       1.1
     139.0       1.3
     145.0       1.1
     150.0       3.4
     151.0       6.6
     152.0       7.5
     153.0       3.1
     163.0       1.5
     164.0       1.5
     165.0       7.7
     166.0       1.4
     176.0       5.5
     177.0       3.2
     178.0       8.2
     179.0       2.2
     180.0       1.1
     189.0       2.7
     190.0       1.3
     191.0       2.4
     192.0       1.1
     193.0      13.7
     194.0       2.5
     202.0       2.6
     203.0       2.0
     205.0       1.6
     206.0       2.6
     207.0       2.1
     209.0       7.4
     210.0       1.2
     221.0      19.7
     222.0       3.5
     223.0       1.1
     231.0       3.0
     233.0       1.7
     234.0       1.9
     235.0       1.1
     248.0       1.3
     249.0     100.0
     250.0      18.2
     251.0       2.0
     264.0      21.7
     265.0       4.6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₆ O₂	0.038 g : 0.5 ml CDCl₃
2-tert-butylanthraquinone

    Assign.     Shift(ppm)

      A             8.316
      B             8.28
      C             8.220
      D             7.820
      E             7.77
      F             1.418

     Hz     ppm     Int.

   3324.58   8.319     73
   3322.88   8.315     75
   3322.51   8.314     73
   3317.99   8.303     37
   3317.50   8.302     41
   3314.82   8.295     34
   3313.96   8.293     65
   3312.01   8.288     54
   3310.30   8.283     55
   3308.47   8.279     68
   3307.37   8.276     35
   3304.81   8.270     48
   3289.79   8.232     69
   3281.49   8.211     76
   3281.13   8.211     74
   3130.62   7.834     56
   3128.54   7.829     54
   3122.44   7.813     51
   3120.36   7.808     50
   3111.45   7.786    109
   3108.28   7.778     64
   3107.91   7.777     64
   3105.83   7.772     63
   3102.29   7.763    108
    566.89   1.419   1000

¹H NMR	89.56 MHz
C₁₈ H₁₆ O₂	0.042 g : 0.5 ml CDCl₃
2-tert-butylanthraquinone

    Assign.     Shift(ppm)

      A             8.32
      B             8.29
      C             8.23
      D             7.80
      E             7.76
      F             1.42

     Hz     ppm     Int.

    746.88   8.340     30
    746.06   8.331     48
    745.63   8.326     45
    744.00   8.308     60
    743.56   8.303     65
    743.00   8.297     36
    740.94   8.274     68
    740.38   8.267     43
    737.88   8.239     42
    737.25   8.232     41
    732.63   8.181     57
    732.19   8.176     49
    704.63   7.868     42
    702.56   7.845     38
    699.88   7.815     67
    696.38   7.776     61
    694.13   7.751     62
    690.75   7.713     49
    127.00   1.419   1000
    125.00   1.396     46

in CDCl3

KBr disc

nujol mull

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