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108-55-4

戊二酸酐(108-55-4)紅外圖譜(IR1)

產(chǎn)品名稱:戊二酸酐

CAS:108-55-4

分子式:C5H6O3

分子量: 114.1

InChI:InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2

InChIKey: VANNPISTIUFMLH-UHFFFAOYSA-N

Smiles:C1(=O)OC(=O)CCC1

  • 圖譜
    Mass

    MS-NW-1564          
    glutaric anhydride
    C5H6O3              (Mass of molecular ion:    114)
    

       Source Temperature: 210 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       2.0
          15.0       3.7
          17.0       1.2
          18.0       5.6
          19.0       2.6
          26.0       4.3
          27.0      33.0
          28.0       5.6
          29.0       7.3
          31.0       5.9
          35.0       1.5
          37.0       1.7
          38.0       3.6
          39.0      22.4
          40.0       4.8
          41.0      39.3
          42.0      70.9
          43.0      29.1
          44.0       5.0
          45.0      40.0
          46.0       1.3
          49.0       1.4
          55.0      68.4
          56.0       2.5
          57.0       3.2
          58.0      33.5
          59.0       1.6
          60.0      53.5
          61.0       1.3
          68.0       3.8
          69.0       2.2
          70.0       4.6
          71.0       1.6
          73.0      27.4
          74.0       1.0
          85.0       3.4
          86.0     100.0
          87.0       9.9
          88.0       2.6
         114.0      40.2
         115.0       8.4
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H6 O3 0.034 g : 0.5 ml CDCl3
    glutaric anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.75 B 2.03

         Hz     ppm     Int.
    

        254.00   2.837    388
        253.38   2.830    405
        251.00   2.803     57
        250.44   2.797     49
        247.31   2.762   1000
        243.00   2.714     58
        242.50   2.708     66
        240.75   2.689    676
        194.38   2.171     97
        193.31   2.159    100
        192.31   2.148     31
        188.31   2.103    193
        187.50   2.094    172
        186.94   2.088    199
        182.38   2.037     97
        181.25   2.024    260
        180.69   2.018    304
        178.94   1.998     93
        177.31   1.980     58
        174.13   1.945    198
        172.69   1.929     67
        170.44   1.904     33
        168.06   1.877     53
        166.81   1.863     54
    

in CDCl3

in DMSO-d6

  • 圖譜

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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