29263-94-3

2-溴-2-甲基丙二酸二乙酯(29263-94-3)核磁图(¹³CNMR)

产品名称:2-溴-2-甲基丙二酸二乙酯

CAS:29263-94-3

分子式:C8H13BrO4

分子量: 253.09

InChI:InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3

InChIKey: CSLQAXTUGPUBCW-UHFFFAOYSA-N

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

Mass

MS2014-05109CW      
diethyl 2-bromo-2-methylmalonate
C8H13BrO4           (Mass of molecular ion:    252)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.7
      16.0       1.3
      17.0      15.4
      18.0       2.0
      26.0       4.8
      27.0      29.3
      28.0      18.1
      29.0      61.0
      30.0       1.7
      31.0       2.3
      32.0       4.5
      41.0       2.4
      42.0       1.1
      43.0      24.9
      44.0       4.2
      45.0       6.6
      52.0       1.1
      53.0       2.3
      54.0       3.4
      55.0      10.9
      56.0       7.2
      57.0       4.4
      71.0       1.2
      72.0       8.2
      73.0      22.4
      74.0       9.0
      75.0       1.1
      80.0       2.1
      81.0       1.1
      82.0       3.0
      83.0      17.2
      84.0       1.7
      85.0       1.1
      99.0       8.4
     100.0       9.1
     101.0       8.0
     102.0       8.0
     105.0       1.6
     106.0       6.2
     107.0       5.5
     108.0       6.5
     109.0       4.3
     110.0       1.2
     123.0       9.1
     125.0       8.8
     126.0       1.3
     127.0       6.1
     128.0       6.8
     129.0      15.8
     130.0       1.2
     133.0       4.5
     134.0      30.3
     135.0       9.3
     136.0      30.1
     137.0       5.2
     146.0       1.2
     147.0       3.0
     151.0      15.7
     152.0     100.0
     153.0      19.0
     154.0      98.2
     155.0       3.5
     174.0       1.5
     179.0      15.0
     180.0      58.3
     181.0      18.1
     182.0      56.7
     183.0       3.6
     207.0      12.6
     208.0       1.2
     209.0      12.2
     210.0       1.1

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₃ Br O₄	0.05 ml : 0.5 ml CDCl₃
diethyl 2-bromo-2-methylmalonate

    Assign.     Shift(ppm)

      A             4.281
      B             2.079
      C             1.303

     Hz     ppm     Int.

    394.56   4.406    137
    387.31   4.325    443
    380.19   4.246    464
    376.63   4.206     23
    373.19   4.167    161
    186.25   2.080    945
    123.69   1.382    491
    116.63   1.303   1000
    109.50   1.223    442