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84-47-9

2-叔丁基蒽醌(84-47-9)质谱(MS)

产品名称:2-叔丁基蒽醌

CAS:84-47-9

分子式:C18H16O2

分子量: 264.32

InChI:InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3

InChIKey: YTPSFXZMJKMUJE-UHFFFAOYSA-N

Smiles:C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(C)(C)C

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    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

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

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

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KBr disc

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nujol mull

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