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2426-02-0

3,4,5,6-四氢苯酐(2426-02-0)核磁图(13CNMR)

产品名称:3,4,5,6-四氢苯酐

CAS:2426-02-0

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2

InChIKey: HMMBJOWWRLZEMI-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(CCCC2)C(=O)O1

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    Mass

    MS-NW-7831          
    3,4,5,6-tetrahydrophthalic anhydride
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.9
          26.0       3.3
          27.0      12.1
          28.0       3.7
          37.0       1.9
          38.0       6.2
          39.0      19.9
          39.5       1.1
          40.0       4.2
          41.0       5.2
          49.0       1.2
          50.0      12.8
          51.0      22.4
          52.0      37.9
          53.0       7.0
          54.0       1.7
          55.0       3.2
          62.0       1.2
          63.0       3.4
          65.0       5.0
          66.0       4.4
          74.0       2.0
          75.0       1.0
          76.0       1.2
          77.0      14.8
          78.0       5.6
          79.0     100.0
          80.0      43.3
          81.0       3.0
         107.0       3.4
         108.0      84.3
         109.0       6.7
         152.0      16.7
         153.0       2.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H8 O3 0.030 g : 0.5 ml DMSO-d6
    3,4,5,6-tetrahydrophthalic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.330 B 1.696

         Hz     ppm     Int.
    

        940.31   2.353     58
        937.01   2.345    298
        933.59   2.337    393
        930.91   2.330   1000
        928.47   2.324    405
        924.80   2.315    315
        921.63   2.307     61
        687.99   1.722     48
        683.96   1.712    324
        680.54   1.703    446
        677.98   1.697    934
        675.42   1.691    428
        671.88   1.682    295
        667.85   1.672     49
        666.50   1.668     36
    

in DMSO-d6

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KBr disc

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nujol mull

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