18263-25-7

2-溴十六烷酸(18263-25-7)质谱(MS)

产品名称:2-溴十六烷酸

CAS:18263-25-7

分子式:C16H31BrO2

分子量: 335.32

InChI:InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

InChIKey: DPRAYRYQQAXQPE-UHFFFAOYSA-N

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

Mass

MS-NW-7854          
2-bromohexadecanoic acid
C16H31BrO2          (Mass of molecular ion:    334)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       3.1
      27.0       7.2
      28.0       2.6
      29.0      24.4
      39.0       4.2
      40.0       1.4
      41.0      50.0
      42.0      13.8
      43.0     100.0
      44.0       4.0
      45.0       2.8
      53.0       3.3
      54.0       6.2
      55.0      51.2
      56.0      23.1
      57.0      76.3
      58.0       3.7
      59.0       1.9
      60.0       6.0
      61.0       1.4
      66.0       1.0
      67.0      12.6
      68.0      10.1
      69.0      33.4
      70.0      17.6
      71.0      32.8
      72.0       1.9
      73.0      52.8
      74.0       2.8
      79.0       2.5
      80.0       6.5
      81.0      15.0
      82.0      13.4
      83.0      26.9
      84.0      15.4
      85.0      17.1
      86.0       3.7
      87.0       6.7
      88.0       1.1
      93.0       1.7
      94.0       1.7
      95.0      13.0
      96.0      11.8
      97.0      22.0
      98.0      16.5
      99.0      12.2
     100.0       3.0
     101.0       7.2
     102.0       1.5
     107.0       1.3
     108.0       1.6
     109.0       8.7
     110.0       6.8
     111.0      11.1
     112.0       6.5
     113.0      10.4
     114.0       5.5
     115.0       8.3
     116.0       2.1
     119.0       1.1
     121.0       1.7
     122.0       1.2
     123.0       6.0
     124.0       4.5
     125.0       6.4
     126.0       3.9
     127.0       7.6
     128.0       1.7
     129.0       7.7
     133.0       1.0
     134.0       1.3
     135.0       1.6
     136.0       1.1
     137.0       4.4
     138.0      25.2
     139.0       5.1
     140.0      24.4
     141.0       2.7
     143.0       3.3
     144.0       1.2
     147.0       1.0
     148.0       1.3
     149.0       1.2
     151.0       4.9
     152.0       4.8
     153.0       4.5
     154.0       1.5
     155.0       1.6
     157.0       9.8
     158.0       2.4
     165.0       2.2
     166.0       1.5
     167.0       1.4
     171.0       9.1
     172.0       1.8
     179.0       1.5
     180.0       3.3
     181.0       1.0
     182.0       3.6
     185.0       3.7
     186.0       1.2
     192.0       4.0
     193.0       9.5
     194.0       4.6
     195.0       9.0
     196.0       1.1
     197.0       3.1
     199.0       1.6
     207.0       8.8
     209.0       8.4
     211.0       1.0
     213.0       9.8
     214.0       1.3
     218.0       1.6
     219.0       1.9
     227.0       5.1
     228.0       1.0
     235.0       1.2
     236.0      11.9
     237.0       5.4
     249.0       2.8
     251.0       2.5
     254.0       1.8
     255.0      16.8
     256.0       4.6
     263.0       2.4
     265.0       2.3
     334.0       7.6
     335.0       1.7
     336.0       7.8
     337.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₃₁ Br O₂	0.036 g : 0.5 ml CDCl₃
2-bromohexadecanoic acid

    Assign.     Shift(ppm)

      A             9.
      B             4.233
      C             2.03
      D             1.4
      E             1.26
      F             0.88

     Hz     ppm     Int.

    379.50   4.238     33
    135.06   1.509     30
    134.19   1.499     33
    133.88   1.495     31
    133.50   1.491     32
    133.00   1.486     33
    132.63   1.481     32
    132.13   1.476     34
    131.38   1.467     36
    130.75   1.460     39
    130.25   1.455     41
    129.63   1.448     42
    128.88   1.440     42
    128.56   1.436     42
    127.88   1.428     45
    127.19   1.421     48
    126.31   1.411     51
    125.75   1.405     53
    125.31   1.400     58
    125.00   1.396     59
    123.38   1.378     72
    112.81   1.260   1000
    107.00   1.195     39
    105.38   1.177     30
     83.88   0.937     33
     83.06   0.928     32
     82.44   0.921     30
     82.25   0.919     30
     81.81   0.914     30
     81.38   0.909     31
     81.06   0.906     32
     78.94   0.882     77
     78.81   0.880     77

in CDCl3