5454-83-1

5-溴戊酸甲酯(5454-83-1)質譜(MS)

產品名稱:5-溴戊酸甲酯

CAS:5454-83-1

分子式:C6H11BrO2

分子量: 195.05

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

InChIKey: RAVVJKCSZXAIQP-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCBr

Mass

MS-NW-5471          
methyl 5-bromovalerate
C6H11BrO2           (Mass of molecular ion:    194)

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

      15.0      22.5
      26.0       3.7
      27.0      24.4
      28.0       9.9
      29.0      18.9
      31.0       2.9
      38.0       1.0
      39.0      12.4
      40.0       1.6
      41.0      18.5
      42.0       5.1
      43.0       4.8
      45.0       3.7
      50.0       1.0
      51.0       1.4
      53.0       4.7
      54.0       4.2
      55.0     100.0
      56.0       6.7
      57.0       5.4
      59.0      36.4
      60.0       1.5
      71.0       1.8
      72.0       1.3
      73.0      39.5
      74.0       2.8
      80.0       1.2
      82.0       1.3
      83.0      28.0
      84.0       1.8
      87.0      86.9
      88.0       8.3
      93.0       1.4
      95.0       1.3
     101.0       4.6
     107.0       3.7
     109.0       3.4
     114.0       1.7
     115.0      55.8
     116.0       4.2
     135.0      11.5
     137.0      10.9
     162.0       1.2
     163.0      13.4
     164.0       1.8
     165.0      13.2
     194.0       1.3
     196.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Br O₂	0.04 ml : 0.5 ml CDCl₃
methyl 5-bromovalerate

    Assign.     Shift(ppm)

      A             3.678
      B             3.41
      C             2.35
      D             1.89
      E             1.79

     Hz     ppm     Int.

    329.44   3.679   1000
    311.88   3.483     64
    307.75   3.437     40
    305.69   3.414    201
    301.25   3.364     30
    299.44   3.344     80
    217.63   2.430     42
    210.94   2.356    111
    204.50   2.284     53
    172.50   1.927     41
    170.94   1.909     46
    170.06   1.899     41
    168.56   1.883    130
    165.75   1.851     87
    164.56   1.838     81
    163.69   1.828     67
    162.06   1.810     99
    160.31   1.790     35
    160.00   1.787     35
    159.25   1.779     31
    158.00   1.765     46
    157.13   1.755     33

in CDCl3