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941-98-0

1-萘乙酮(941-98-0)红外图谱(IR2)

产品名称:1-萘乙酮

CAS:941-98-0

分子式:C12H10O

分子量: 170.21

InChI:InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3

InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2226          
    1-acetonaphthone
    C12H10O             (Mass of molecular ion:    170)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.2
          39.0       1.6
          43.0       8.4
          50.0       2.9
          51.0       5.2
          62.0       1.8
          63.0       6.6
          63.5       5.4
          64.0       1.1
          74.0       3.9
          75.0       5.8
          76.0       2.9
          77.0       8.6
          77.5       1.9
          78.0       1.0
          85.0       1.9
          86.0       1.1
          87.0       1.6
          98.0       1.2
         101.0       5.6
         102.0       1.4
         115.0       2.7
         126.0      10.5
         127.0      86.3
         128.0      15.7
         129.0       1.2
         139.0       1.9
         141.0       2.1
         155.0     100.0
         156.0      12.1
         169.0       1.2
         170.0      53.2
         171.0       7.1
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H10 O 0.04 ml : 0.5 ml CDCl3
    1-acetonaphthone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.74 B 7.93 C 7.88 D 7.85 E *1 7.57 F *1 7.50 G 7.46 J 2.645 400MHZ : HSP-43-617

         Hz     ppm     Int.
    

        788.25   8.802     41
        787.50   8.793     31
        785.81   8.775     40
        780.06   8.710     32
        779.19   8.701     50
        778.38   8.692     51
        710.81   7.937     60
        705.00   7.872     80
        703.63   7.857    114
        702.69   7.847    124
        697.69   7.791    121
        696.19   7.774     90
        692.81   7.736     74
        682.63   7.623     30
        677.88   7.570     77
        675.75   7.546     61
        673.94   7.526     91
        670.94   7.492    167
        668.06   7.460    131
        666.50   7.442     61
        664.63   7.422     58
        660.19   7.372     90
        652.81   7.290     48
        237.06   2.647   1000
        235.13   2.626    104
    

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    1H NMR 399.65 MHz
    C12 H10 O 0.05 ml : 0.5 ml CDCl3
    1-acetonaphthone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.755 B 7.886 C 7.822 D 7.783 E 7.541 F 7.458 G 7.380 J 2.645 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       3503.05   8.766     99
       3494.38   8.744    103
       3156.25   7.898    101
       3148.07   7.878    112
       3130.49   7.834    111
       3129.27   7.831    113
       3123.17   7.815    122
       3122.07   7.813    120
       3115.84   7.797     86
       3115.11   7.795     92
       3114.38   7.793     93
       3107.67   7.776    102
       3106.93   7.775    105
       3106.20   7.773    104
       3022.95   7.564     50
       3021.48   7.561     55
       3016.11   7.547     77
       3014.53   7.543    102
       3012.94   7.539     57
       3007.45   7.526     74
       3005.98   7.522     73
       2988.04   7.477     76
       2986.82   7.474     86
       2981.20   7.460     60
       2979.98   7.457    115
       2978.76   7.454     84
       2973.02   7.440     50
       2971.92   7.437     53
       2956.91   7.399    115
       2949.71   7.381    118
       2948.73   7.379    131
       2941.53   7.361     99
       1057.37   2.646   1000
    

in CDCl3

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CCl4 solution

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liquid film

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