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返回ChemicalBook首页>CAS数据库列表>37830-90-3更多图谱> 4,5-二甲基-1,3-二氧杂环戊烯-2-酮(37830-90-3)核磁图(1HNMR)

37830-90-3

4,5-二甲基-1,3-二氧杂环戊烯-2-酮(37830-90-3)核磁图(1HNMR)

分子式:C5H6O3

分子量: 114.1

InChI:InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3

InChIKey: QYIOFABFKUOIBV-UHFFFAOYSA-N

Smiles:O1C(C)=C(C)OC1=O

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    Mass

    MS-NW-9427          
    4,5-dimethyl-1,3-dioxol-2-one
    C5H6O3              (Mass of molecular ion:    114)
    

       Source Temperature: 250 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          14.0       2.3
          15.0      11.0
          26.0       4.7
          27.0      19.3
          28.0       3.1
          38.0       1.1
          39.0       4.9
          40.0       6.6
          41.0      26.3
          42.0      16.9
          43.0     100.0
          44.0       3.4
          53.0       4.2
          54.0       2.9
          55.0      34.3
          56.0       1.4
          70.0       5.5
          86.0       1.7
         114.0      56.5
         115.0       3.8
    

parameter in CDCl3

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    1H NMR 300 MHz
    C5 H6 O3 0.041 g : 0.5 ml CDCl3
    4,5-dimethyl-1,3-dioxol-2-one
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.044

         Hz     ppm     Int.
    

        613.20   2.044   1000
    

in CDCl3

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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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