79-10-7

丙烯酸(79-10-7)紅外圖譜(IR2)

產品名稱: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

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

¹H NMR	89.56 MHz
C₃ H₄ O₂	0.04 ml : 0.5 ml CDCl₃
acrylic acid

    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

¹H NMR	300 MHz
C₃ H₄ O₂	20 wt% in CDCl₃
acrylic acid

    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