4-溴丁酸乙酯(2969-81-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-溴丁酸乙酯

CAS:2969-81-5

分子式:C6H11BrO2

分子量: 195.05

InChI:InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChIKey: XBPOBCXHALHJFP-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCBr

Mass

MS-NW-1308          
ethyl 4-bromobutyrate
C6H11BrO2           (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.8
      26.0       2.9
      27.0      17.5
      28.0       4.5
      29.0      42.0
      30.0       1.0
      31.0       2.0
      38.0       1.0
      39.0      10.1
      40.0       2.3
      41.0      42.3
      42.0      13.4
      43.0      13.0
      44.0       1.0
      45.0      17.2
      55.0       3.1
      56.0       1.0
      60.0      25.2
      61.0       9.9
      69.0       2.6
      70.0       6.1
      73.0       5.8
      85.0       1.1
      86.0       1.0
      87.0      12.8
      88.0     100.0
      89.0       4.9
      93.0       1.4
      95.0       1.4
     101.0       1.1
     115.0       5.1
     121.0       9.0
     123.0       8.6
     149.0      23.9
     150.0       1.8
     151.0      24.2
     152.0       1.0
     166.0       3.9
     168.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Br O₂	0.04 ml : 0.5 ml CDCl₃
ethyl 4-bromobutyrate

    Assign.     Shift(ppm)

      A             4.143
      B             3.471
      C             2.49
      D             2.18
      E             1.268

     Hz     ppm     Int.

    382.00   4.266    120
    374.88   4.186    392
    367.75   4.107    412
    360.63   4.027    137
    317.25   3.543    241
    310.88   3.472    544
    304.81   3.404    266
    232.19   2.593     77
    230.19   2.571     84
    225.63   2.520     83
    223.25   2.493    278
    217.81   2.433    207
    216.69   2.420    239
    207.56   2.318     81
    206.06   2.301     74
    201.25   2.248    163
    200.56   2.240    150
    197.81   2.209     42
    194.88   2.176    185
    194.25   2.169    180
    192.06   2.145     86
    188.19   2.102    109
    185.94   2.077     66
    120.44   1.345    506
    113.38   1.266   1000
    110.94   1.239     47
    106.13   1.186    448

in CDCl3