607-97-6

2-乙基乙酰乙酸乙酯(607-97-6)核磁圖(¹HNMR)

產(chǎn)品名稱:2-乙基乙酰乙酸乙酯

CAS:607-97-6

分子式:C8H14O3

分子量: 158.2

InChI:InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3

InChIKey: OKANYBNORCUPKZ-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(CC)C(=O)C

Mass

MS-NW-5836          
ethyl 2-ethyl-3-oxobutyrate
C8H14O3             (Mass of molecular ion:    158)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.9
      18.0       2.2
      26.0       1.9
      27.0      11.1
      28.0       2.6
      29.0      19.6
      31.0       5.6
      39.0       4.7
      40.0       1.1
      41.0       6.9
      42.0       2.5
      43.0     100.0
      44.0       4.6
      45.0       6.2
      46.0       1.0
      55.0      12.8
      57.0       1.7
      58.0       1.6
      60.0       1.0
      61.0       1.7
      69.0       5.4
      70.0       8.1
      71.0      10.6
      73.0      36.3
      74.0       1.5
      84.0       3.2
      85.0       1.7
      86.0       2.3
      87.0       5.0
      88.0      11.3
      89.0       3.7
      97.0       1.4
     101.0      28.1
     102.0       2.5
     112.0       1.0
     113.0      12.0
     114.0       1.0
     115.0       1.3
     116.0      40.4
     117.0       3.0
     130.0       4.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
ethyl 2-ethyl-3-oxobutyrate

    Assign.     Shift(ppm)

      A             4.199
      B             3.336
      C             2.225
      D             1.88
      E             1.278
      F             0.94
     
     J(A,E)=7.1HZ. J(B,D)=7.3HZ. J(B,C)=0.3HZ.

     Hz     ppm     Int.

    387.06   4.322     70
    379.94   4.243    240
    372.81   4.163    259
    365.75   4.084     83
    306.44   3.422     47
    299.13   3.340    101
    291.75   3.258     57
    199.06   2.223   1000
    176.06   1.966     82
    168.75   1.885    136
    161.44   1.803    127
    154.69   1.728     32
    154.19   1.722     33
    121.50   1.357    260
    114.50   1.279    519
    107.25   1.198    230
     91.00   1.017    168
     89.38   0.998     37
     83.88   0.937    293
     76.31   0.853    113

in CDCl3