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577-16-2

邻甲基苯乙酮(577-16-2)Raman光谱

产品名称:邻甲基苯乙酮

CAS:577-16-2

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC=C1C)C

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    Mass

    MS-NW-3403          
    2'-methylacetophenone
    C9H10O              (Mass of molecular ion:    134)
    

       Source Temperature: 290 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.2
          27.0       2.1
          37.0       1.0
          38.0       2.4
          39.0      12.4
          40.0       1.0
          41.0       2.6
          43.0      13.9
          45.5       1.0
          50.0       4.6
          51.0       7.6
          52.0       1.7
          53.0       1.0
          61.0       1.6
          62.0       4.1
          63.0      10.7
          64.0       3.0
          65.0      22.3
          66.0       1.7
          74.0       1.9
          75.0       1.4
          76.0       1.0
          77.0       4.7
          78.0       1.2
          79.0       1.3
          86.0       1.0
          89.0       8.4
          90.0       4.4
          91.0      92.0
          92.0       7.8
         103.0       1.6
         105.0       1.3
         115.0       1.7
         119.0     100.0
         120.0       9.7
         134.0      47.5
         135.0       5.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H10 O 0.05 ml : 0.5 ml CDCl3
    2'-methylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.663 B 7.336 C 7.23 D 7.21 E 2.538 F 2.512

         Hz     ppm     Int.
    

       3067.38   7.676    109
       3066.16   7.673    114
       3059.69   7.656    117
       3058.35   7.653    123
       2941.41   7.360     51
       2939.94   7.357     53
       2933.96   7.342    128
       2932.50   7.338    125
       2926.39   7.323     94
       2925.05   7.320     89
       2896.85   7.249     71
       2896.12   7.247     82
       2888.55   7.228    125
       2883.18   7.215    145
       2882.45   7.213    164
       2881.84   7.211    152
       2875.61   7.196     98
       2875.00   7.194    106
       2874.39   7.193     94
       1014.28   2.538   1000
       1004.15   2.513    681
    

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    1H NMR 89.56 MHz
    C9 H10 O 0.04 ml : 0.5 ml CDCl3
    2'-methylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.67 B 7.35 C 7.24 D 7.21 E 2.559 F 2.52

         Hz     ppm     Int.
    

        690.44   7.710     25
        690.06   7.706     24
        685.13   7.650     30
        682.88   7.625     41
        661.56   7.387     25
        656.75   7.334     33
        655.19   7.316    106
        653.06   7.292     99
        651.31   7.273     30
        650.69   7.266     48
        649.81   7.256     58
        649.06   7.248     66
        648.50   7.241     71
        647.81   7.234     64
        647.25   7.228     46
        643.63   7.187     24
        229.19   2.560   1000
        226.06   2.525    389
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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