3-乙氧基丙酸(4324-38-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-乙氧基丙酸

CAS:4324-38-3

分子式:C5H10O3

分子量: 118.13

InChI:InChI=1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey: JRXXEXVXTFEBIY-UHFFFAOYSA-N

Smiles:C(O)(=O)CCOCC

Mass

MS-NW-1059          
3-ethoxypropionic acid
C5H10O3             (Mass of molecular ion:    118)

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

      14.0       2.3
      15.0       8.4
      18.0       3.6
      19.0       5.8
      26.0       9.4
      27.0      44.6
      28.0       8.6
      29.0      60.7
      30.0       3.7
      31.0     100.0
      32.0       1.7
      41.0       3.9
      42.0      12.8
      43.0      50.9
      44.0      13.5
      45.0      43.5
      46.0       3.2
      47.0       4.8
      55.0      23.7
      56.0      15.7
      57.0       2.5
      58.0       1.2
      59.0      43.0
      60.0       9.2
      61.0       4.1
      71.0      60.7
      72.0      21.6
      73.0      86.4
      74.0      49.7
      75.0       3.6
      89.0      42.7
      90.0       1.7
     100.0       3.0
     101.0       2.8
     103.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O₃	0.04 ml : 0.5 ml CDCl₃
3-ethoxypropionic acid

    Assign.     Shift(ppm)

      A            11.20
      B             3.71
      C             3.53
      D             2.635
      E             1.206

     Hz     ppm     Int.

   1002.69  11.196     93
    339.68   3.793    179
    339.36   3.790    179
    333.01   3.719    493
    326.98   3.651    348
    320.00   3.574    454
    313.02   3.496    484
    306.20   3.419    140
    242.24   2.705    246
    235.97   2.635    473
    233.51   2.608     26
    229.63   2.564    177
    114.73   1.282    471
    107.83   1.204   1000
    100.69   1.125    397

in CDCl3