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597-43-3

2,2-二甲基琥珀酸(597-43-3)质谱(MS)

产品名称:2,2-二甲基琥珀酸

CAS:597-43-3

分子式:C6H10O4

分子量: 146.14

InChI:InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)

InChIKey: GOHPTLYPQCTZSE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6369          
    2,2-dimethylsuccinic acid
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       3.2
          17.0       4.0
          18.0      18.8
          26.0       2.5
          27.0      11.3
          28.0       5.5
          29.0       8.2
          31.0       1.1
          37.0       2.1
          38.0       4.1
          39.0      24.5
          40.0       6.9
          41.0      63.6
          42.0       4.8
          43.0       6.8
          44.0       2.7
          45.0       3.6
          50.0       1.8
          51.0       1.7
          53.0       2.1
          54.0       1.4
          55.0      11.7
          56.0     100.0
          57.0       5.4
          59.0      21.8
          60.0       2.4
          69.0       3.5
          72.0       2.4
          83.0       1.1
          85.0       1.7
          87.0       9.7
         100.0       6.1
         101.0       2.7
         102.0       1.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H10 O4 0.039 g : 0.5 ml DMSO-d6
    2,2-dimethylsuccinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 2.447 C 1.158

         Hz     ppm     Int.
    

        978.11   2.448    398
        462.86   1.159   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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