609-12-1

2-溴代異戊酸乙酯(609-12-1)質譜(MS)

產(chǎn)品名稱:2-溴代異戊酸乙酯

CAS:609-12-1

分子式:C7H13BrO2

分子量: 209.08

InChI:InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3

InChIKey: WNFUWONOILPKNX-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3997          
ethyl 2-bromo-3-methylbutyrate
C7H13BrO2           (Mass of molecular ion:    208)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      26.0       1.4
      27.0      18.5
      28.0       4.7
      29.0      70.7
      30.0       2.0
      39.0      15.1
      40.0       2.5
      41.0      29.4
      42.0       3.7
      43.0      24.7
      44.0       1.2
      45.0       8.2
      53.0       3.9
      54.0       1.1
      55.0      91.2
      56.0      12.6
      57.0      10.4
      59.0       7.4
      60.0       1.3
      68.0       1.3
      69.0      12.9
      70.0       1.1
      73.0       8.7
      82.0       1.5
      83.0      10.5
      84.0       1.5
      85.0       4.9
      86.0       1.7
      87.0       4.2
      88.0       2.2
     100.0       1.2
     101.0      28.3
     102.0       1.8
     107.0       4.9
     109.0       4.9
     120.0       7.8
     121.0       2.6
     122.0       7.4
     123.0       1.7
     129.0      47.8
     130.0       3.8
     135.0      27.3
     136.0       2.0
     137.0      26.7
     138.0      58.9
     139.0       1.9
     140.0      56.6
     141.0       1.7
     163.0       8.3
     165.0       9.0
     166.0     100.0
     167.0       5.4
     168.0      97.2
     169.0       4.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₃ Br O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 2-bromo-3-methylbutyrate

    Assign.     Shift(ppm)

      A             4.232
      B             4.037
      C             2.233
      D             1.301
      E     *1      1.104
      F     *1      1.034

     Hz     ppm     Int.

   1702.51   4.261    200
   1695.31   4.242    553
   1692.14   4.235     36
   1688.23   4.225    566
   1684.69   4.216     39
   1681.03   4.207    218
   1617.55   4.048    374
   1609.74   4.028    383
    910.16   2.278     34
    903.56   2.261     89
    896.85   2.245    127
    895.75   2.242    103
    890.26   2.228    106
    889.04   2.225    129
    883.54   2.211     53
    882.32   2.208     96
    875.73   2.192     39
    527.34   1.320    602
    524.29   1.312     58
    520.14   1.302   1000
    513.06   1.284    583
    509.40   1.275     52
    448.73   1.123     43
    444.46   1.113    849
    437.74   1.096    827
    421.14   1.054     33
    416.87   1.044    835
    410.16   1.027    817

in CDCl3