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返回ChemicalBook首页>CAS数据库列表>13149-00-3更多图谱> 六氢邻苯二甲酸酐(13149-00-3)核磁图(13CNMR)

13149-00-3

六氢邻苯二甲酸酐(13149-00-3)核磁图(13CNMR)

分子式:C8H10O3

分子量: 154.16

InChI:InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+

InChIKey: MUTGBJKUEZFXGO-OLQVQODUNA-N

Smiles:C1(=O)[C@]2([H])[C@@]([H])(CCCC2)C(=O)O1 |&1:2,4,r|

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    Mass

    MS-NW-1384          
    cis-1,2-cyclohexanedicarboxylic anhydride
    C8H10O3             (Mass of molecular ion:    154)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.3
          26.0       3.5
          27.0      19.2
          28.0       3.5
          29.0       2.8
          38.0       2.8
          39.0      27.0
          40.0       5.5
          41.0      30.2
          42.0       2.0
          50.0       3.3
          51.0       5.0
          52.0       3.5
          53.0       8.2
          54.0      70.9
          55.0       5.1
          65.0       2.1
          66.0       2.0
          67.0      89.8
          68.0       5.5
          77.0       2.4
          79.0       5.0
          80.0       2.0
          81.0       8.4
          82.0     100.0
          83.0       6.7
         108.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 O3 0.035 g : 0.5 ml CDCl3
    cis-1,2-cyclohexanedicarboxylic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.16 B *1 3.15 C *2 1.91 D *2 1.84 E *3 1.52 F *3 1.51

         Hz     ppm     Int.
    

       1270.63   3.180     51
       1269.78   3.178     87
       1264.40   3.164    289
       1263.55   3.162    171
       1262.57   3.160    328
       1261.84   3.158    414
       1259.64   3.152    464
       1257.57   3.147    795
       1255.62   3.142    485
       1253.42   3.137    423
       1252.69   3.135    319
       1251.71   3.133    176
       1250.85   3.130    306
       1245.48   3.117     96
       1244.63   3.115     58
        610.35   1.528    472
        609.13   1.525    446
        607.42   1.520    852
        604.00   1.512   1000
        601.07   1.504    732
        599.73   1.501    404
        598.51   1.498    435
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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4880 A,200 M,powder

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