2868-37-3

环丙甲酸甲酯(2868-37-3)核磁图(¹³CNMR)

产品名称:环丙甲酸甲酯

CAS:2868-37-3

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3

InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N

Smiles:C1(C(OC)=O)CC1

Mass

MS-KW-0819          
methyl cyclopropanecarboxylate
C5H8O2              (Mass of molecular ion:    100)

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

      15.0      15.8
      26.0       1.9
      27.0       5.4
      28.0       4.8
      29.0       5.2
      31.0       1.6
      37.0       1.8
      38.0       4.1
      39.0      34.8
      40.0       6.5
      41.0      82.4
      42.0       6.3
      43.0       2.1
      45.0       2.8
      55.0       8.0
      56.0       3.6
      57.0       1.0
      58.0      13.9
      59.0      36.6
      68.0       6.2
      69.0     100.0
      70.0       5.2
      71.0       1.5
      72.0       8.6
      85.0       1.7
      99.0      43.6
     100.0      13.0
     101.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
methyl cyclopropanecarboxylate

    Assign.     Shift(ppm)

      A             3.676
      B             1.613
      C             0.983
      D             0.856

     Hz     ppm     Int.

   1469.12   3.677   1000
    657.71   1.646     46
    653.08   1.635     90
    649.66   1.626     91
    648.32   1.623     65
    645.02   1.614    173
    641.60   1.606     58
    640.38   1.603     97
    636.96   1.594     99
    632.32   1.583     53
    401.61   1.005     71
    398.19   0.997    114
    397.22   0.994    210
    394.29   0.987    252
    393.43   0.985    171
    392.58   0.983    213
    389.65   0.975    251
    386.35   0.967     80
    385.74   0.966     87
    351.68   0.880     78
    351.20   0.879     91
    347.78   0.871    236
    344.97   0.864    177
    343.75   0.861    160
    339.84   0.851    231
    336.91   0.844    170
    336.06   0.841    143
    332.15   0.832     61

in CDCl3