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返回ChemicalBook首页>CAS数据库列表>4746-97-8更多图谱> 1,4-环己二酮单乙二醇缩酮(4746-97-8)核磁图(1HNMR)

4746-97-8

1,4-环己二酮单乙二醇缩酮(4746-97-8)核磁图(1HNMR)

分子式:C8H12O3

分子量: 156.18

InChI:InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

InChIKey: VKRKCBWIVLSRBJ-UHFFFAOYSA-N

Smiles:O1C2(CCC(=O)CC2)OCC1

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    Mass

    MS-IW-4170          
    1,4-dioxaspiro(4.5)decan-8-one
    C8H12O3             (Mass of molecular ion:    156)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       3.1
          28.0       5.6
          29.0       1.5
          39.0       1.8
          41.0       2.0
          42.0       2.9
          43.0       3.4
          45.0       1.4
          53.0       1.1
          54.0       1.9
          55.0      13.5
          56.0       9.0
          57.0       2.2
          67.0       2.6
          71.0       1.7
          83.0       2.4
          84.0       4.0
          86.0       4.0
          97.0       2.9
          98.0       1.9
          99.0     100.0
         100.0      29.7
         101.0       2.3
         156.0       3.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H12 O3 0.036 g : 0.5 ml CDCl3
    1,4-dioxaspiro(4.5)decan-8-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.037 B 2.512 C 2.019

         Hz     ppm     Int.
    

       1613.53   4.038   1000
       1011.47   2.531    132
       1004.39   2.514    182
        997.19   2.496    142
        812.87   2.034    152
        811.65   2.031     76
        805.54   2.016    197
        798.58   1.999    120
    

in CDCl3

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KBr disc

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nujol mull

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