692-45-5

甲酸乙烯酯(692-45-5)质谱(MS)

产品名称:甲酸乙烯酯

CAS:692-45-5

分子式:C3H4O2

分子量: 72.06

InChI:InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2

InChIKey: GFJVXXWOPWLRNU-UHFFFAOYSA-N

Smiles:C(OC=C)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4432          
vinyl formate
C3H4O2              (Mass of molecular ion:     72)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      13.0       2.3
      14.0       6.8
      15.0      26.5
      16.0       2.6
      18.0       4.1
      25.0       2.2
      26.0      11.6
      27.0      31.5
      28.0       4.3
      29.0      69.3
      30.0       1.1
      31.0       1.1
      41.0       2.0
      42.0      11.8
      43.0     100.0
      44.0      86.4
      45.0      15.4
      46.0       6.8
      72.0       9.8
      87.0       1.2
      89.0       1.9

90 MHz in CDCl3

parameter neat

¹H NMR	89.56 MHz
C₃ H₄ O₂	0.04 ml : 0.5 ml CDCl₃
vinyl formate

    Assign.     Shift(ppm)

      A             8.031
      B             7.319
      C             5.007
      D             4.692

     Hz     ppm     Int.

    721.06   8.052    649
    720.44   8.045    918
    719.44   8.034    915
    718.81   8.027   1000
    718.06   8.018    729
    716.94   8.006    272
    666.38   7.441    576
    665.75   7.434    576
    660.13   7.371    609
    659.50   7.364    621
    652.50   7.286    643
    651.88   7.279    647
    651.31   7.273    218
    646.25   7.216    671
    456.31   5.096    588
    455.56   5.087    642
    454.50   5.075    696
    453.69   5.066    709
    442.44   4.941    513
    441.69   4.932    538
    440.63   4.920    632
    439.81   4.911    649
    425.13   4.747    611
    423.50   4.729    798
    421.63   4.708    607
    418.88   4.678    643
    417.25   4.659    786
    415.38   4.639    566

¹H NMR	300 MHz
C₃ H₄ O₂	neat
vinyl formate

    Parameter     ppm  Hz

      D(A)         4.658
      D(B)         4.955
      D(C)         7.330
      D(D)         8.068
       J(A,B)         -1.7
       J(A,C)          6.4
       J(A,D)          1.6
       J(B,C)         13.9
       J(B,D)          0.8
       J(C,D)         -0.7
     
     HRUSKA,F. ET AL. CAN.J.CHEM. 43, 1942 (1965)

     Hz     ppm     Int.

   2421.18   8.071    944
   2420.41   8.068   1000
   2419.64   8.065    945
   2209.54   7.365    428
   2208.93   7.363    427
   2203.15   7.344    437
   2202.54   7.342    435
   2195.64   7.319    447
   2195.03   7.317    446
   2189.25   7.297    453
   2188.64   7.295    451
   1494.61   4.982    448
   1493.87   4.980    492
   1492.94   4.976    505
   1492.20   4.974    462
   1480.71   4.936    430
   1479.97   4.933    472
   1479.04   4.930    487
   1478.30   4.928    445
   1402.24   4.674    408
   1400.61   4.669    745
   1398.97   4.663    401
   1395.82   4.653    410
   1394.19   4.647    733
   1392.55   4.642    387

in CDCl3

liquid film