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79-10-7

丙烯酸(79-10-7)Raman光谱

产品名称:丙烯酸

CAS:79-10-7

分子式:C3H4O2

分子量: 72.06

InChI:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

InChIKey: NIXOWILDQLNWCW-UHFFFAOYSA-N

Smiles:C(O)(=O)C=C

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    Mass

    MS-NW-3742          
    acrylic acid
    C3H4O2              (Mass of molecular ion:     72)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          13.0       1.3
          14.0       1.8
          15.0       2.2
          18.0       1.8
          24.0       1.7
          25.0       7.2
          26.0      44.0
          27.0     100.0
          28.0      13.3
          29.0       6.0
          31.0       1.1
          41.0       1.1
          42.0       2.4
          43.0       8.3
          44.0      14.0
          45.0      32.3
          46.0       2.5
          53.0       4.9
          54.0       2.1
          55.0      97.2
          56.0       4.9
          71.0       6.4
          72.0      95.5
          73.0       9.8
          89.0       3.2
          98.0       1.6
    

90 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C3 H4 O2 0.04 ml : 0.5 ml CDCl3
    acrylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 6.52 C 6.14 D 5.96

         Hz     ppm     Int.
    

       1073.93  11.992    489
        595.92   6.654    287
        592.50   6.616    300
        580.29   6.480    665
        576.87   6.442    813
        571.06   6.377     85
        563.02   6.287    516
        553.03   6.175   1000
        550.89   6.152    130
        539.18   6.021    829
        537.30   6.000    686
        535.77   5.983    846
        534.23   5.966     87
        529.19   5.909    356
        525.77   5.871    136
    

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    1H NMR 300 MHz
    C3 H4 O2 20 wt% in CDCl3
    acrylic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.95 D(B) 6.53 D(C) 6.15 J(A,B) 1.8 J(A,C) 10.5 J(B,C) 17.2 D(D) 12.08 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.9.2

         Hz     ppm     Int.
    

       3623.97  12.080   1000
       1969.18   6.564    218
       1967.29   6.558    224
       1952.10   6.507    295
       1950.21   6.501    301
       1858.58   6.195    247
       1848.12   6.160    329
       1841.55   6.138    168
       1831.10   6.104    260
       1790.71   5.969    305
       1788.82   5.963    305
       1780.25   5.934    220
       1778.37   5.928    209
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,150M,liquid

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