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返回ChemicalBook首页>CAS数据库列表>1193-55-1更多图谱> 2-甲基-1,3-环己二酮(1193-55-1)红外图谱(IR2)

1193-55-1

2-甲基-1,3-环己二酮(1193-55-1)红外图谱(IR2)

分子式:C7H10O2

分子量: 126.15

InChI:InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3

InChIKey: VSGJHHIAMHUZKF-UHFFFAOYSA-N

Smiles:C1(=O)CCCC(=O)C1C

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    Mass

    MS-NW-7241          
    2-methyl-1,3-cyclohexanedione
    C7H10O2             (Mass of molecular ion:    126)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          14.0       1.0
          15.0       3.2
          17.0       1.3
          18.0       6.4
          26.0       6.7
          27.0      34.1
          28.0      33.0
          29.0       5.3
          31.0       1.8
          35.0       1.6
          37.0       1.7
          38.0       3.3
          39.0      21.8
          40.0       5.2
          41.0      18.6
          42.0      44.9
          43.0      16.6
          44.0       1.2
          48.0       1.0
          49.0       1.1
          50.0       2.0
          51.0       3.1
          52.0       1.7
          53.0       5.7
          54.0       2.5
          55.0     100.0
          56.0      40.9
          57.0       7.5
          67.0       1.0
          68.0       1.3
          69.0       7.3
          70.0      65.8
          71.0       8.1
          77.0       1.1
          79.0       1.4
          80.0       1.1
          83.0      34.7
          84.0       3.2
          85.0       2.2
          97.0      14.0
          98.0      67.5
          99.0       4.2
         111.0       1.3
         126.0      68.6
         127.0       6.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H10 O2 0.040 g : 0.5 ml DMSO-d6
    2-methyl-1,3-cyclohexanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.3 B 2.30 C 1.820 D 1.550

         Hz     ppm     Int.
    

       4117.28  10.303    115
        926.82   2.320    179
        921.33   2.306    279
        915.68   2.292    185
        740.36   1.853     66
        733.80   1.837    189
        727.54   1.821    254
        720.98   1.805    165
        717.01   1.795     28
        714.57   1.788     50
        619.66   1.551   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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