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16874-33-2

2-四氢呋喃甲酸(16874-33-2)质谱(MS)

产品名称:2-四氢呋喃甲酸

CAS:16874-33-2

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)

InChIKey: UJJLJRQIPMGXEZ-UHFFFAOYSA-N

Smiles:O1CCCC1C(O)=O

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    Mass

    MS-IW-9181          
    tetrahydro-2-furancarboxylic acid
    C5H8O3              (Mass of molecular ion:    116)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.9
          18.0       3.2
          26.0       1.7
          27.0      20.8
          28.0       9.0
          29.0      10.7
          31.0       2.7
          38.0       1.9
          39.0      15.4
          40.0       4.8
          41.0      43.2
          42.0      13.8
          43.0      63.6
          44.0       8.1
          45.0       6.2
          55.0       1.7
          58.0       1.1
          68.0       1.6
          69.0       4.3
          70.0       5.1
          71.0     100.0
          72.0       4.7
          73.0       1.1
          88.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H8 O3 0.05 ml : 0.5 ml CDCl3
    tetrahydro-2-furancarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 4.529 C *1 4.041 D *1 3.951 E *2 2.321 F *2 2.104 G 1.97

         Hz     ppm     Int.
    

       4419.44  11.059   1000
       1817.01   4.547    887
       1811.70   4.534    941
       1808.59   4.526    911
       1803.09   4.512    854
       1626.52   4.070    361
       1619.74   4.053    724
       1618.46   4.050    671
       1611.50   4.033    994
       1604.72   4.016    537
       1589.52   3.978    516
       1582.92   3.961    875
       1576.15   3.944    632
       1574.87   3.941    628
       1570.47   3.930     65
       1568.09   3.924    351
        946.79   2.370    192
        939.64   2.352    285
        938.55   2.349    395
        933.97   2.337    300
        931.58   2.331    424
        930.30   2.328    329
        927.19   2.321    361
        925.72   2.317    537
        923.16   2.310    288
        918.95   2.300    529
        917.30   2.296    361
        910.52   2.279    287
        857.22   2.145    232
        851.54   2.131    313
        850.08   2.128    490
        844.58   2.114    629
        843.12   2.110    452
        837.44   2.096    683
        831.94   2.082    397
        830.48   2.079    332
        824.80   2.064    286
        814.18   2.038     62
        807.40   2.021    140
        801.90   2.007    328
        798.61   1.999    360
        795.13   1.990    758
        791.65   1.981    749
        790.36   1.978    552
        788.35   1.973    905
        784.87   1.964    766
        783.59   1.961    746
        781.57   1.956    655
        778.09   1.947    415
        776.81   1.944    598
        774.61   1.939    249
        772.78   1.934    167
        771.31   1.930    167
        770.03   1.927    227
        765.82   1.917     55
        764.54   1.914     98
    

in CDCl3

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liquid film

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