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

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

¹H NMR	399.65 MHz
C₆ H₁₀ O₄	0.039 g : 0.5 ml DMSO-d₆
2,2-dimethylsuccinic acid

    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

KBr disc

nujol mull

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嘉兴市艾森化工有限公司

Pure Chemistry Scientific Inc.