33697-53-9

2-乙基-2-甲基乙酰乙酸乙酯(33697-53-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2-乙基-2-甲基乙酰乙酸乙酯

CAS:33697-53-9

分子式:C9H16O3

分子量: 172.22

InChI:InChI=1S/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3

InChIKey: NWMTWESXONQJPU-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4788          
ethyl 2-ethyl-2-methyl-3-oxobutyrate
C9H16O3             (Mass of molecular ion:    172)

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

      15.0       4.2
      18.0       1.5
      26.0       3.2
      27.0      13.8
      28.0       7.2
      29.0      25.8
      31.0       1.7
      39.0       6.9
      40.0       1.2
      41.0      16.7
      42.0       2.6
      43.0      90.2
      44.0       9.1
      45.0       7.3
      51.0       1.3
      53.0       3.2
      54.0       1.7
      55.0      14.8
      56.0       3.8
      57.0       9.7
      59.0       2.7
      67.0       3.8
      69.0      20.0
      70.0       2.5
      71.0       2.7
      72.0       1.8
      73.0       5.8
      74.0       2.2
      79.0       1.8
      81.0       1.0
      82.0       1.8
      83.0       6.5
      84.0      15.9
      85.0       5.5
      87.0      88.1
      88.0       4.0
      98.0       3.5
      99.0       8.5
     100.0       2.1
     101.0       7.3
     102.0      35.3
     103.0       2.7
     115.0      52.4
     116.0       4.0
     127.0      17.7
     128.0       1.6
     129.0       3.3
     130.0     100.0
     131.0       8.1
     144.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 2-ethyl-2-methyl-3-oxobutyrate

    Assign.     Shift(ppm)

      A             4.202
      B             2.149
      C     *1      1.944
      D     *1      1.821
      E             1.315
      F             1.271
      G             0.840

     Hz     ppm     Int.

   1690.92   4.232    109
   1683.72   4.213    301
   1676.64   4.196    308
   1669.43   4.178    116
    858.89   2.150   1000
    789.92   1.977     57
    782.35   1.958     66
    775.88   1.942     97
    768.31   1.923     94
    760.74   1.904     34
    744.26   1.863     33
    736.69   1.844     98
    729.25   1.825    105
    722.66   1.809     68
    715.09   1.790     60
    533.33   1.335     41
    525.63   1.316    898
    515.26   1.290    358
    508.18   1.272    608
    500.98   1.254    334
    343.26   0.859    324
    335.82   0.841    566
    331.18   0.829     38
    328.25   0.822    290

in CDCl3