143-15-7

溴代十二烷(143-15-7)質(zhì)譜(MS)

產(chǎn)品名稱:溴代十二烷

CAS:143-15-7

分子式:C12H25Br

分子量: 249.23

InChI:InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3

InChIKey: PBLNBZIONSLZBU-UHFFFAOYSA-N

Smiles:C(Br)CCCCCCCCCCC

Mass

MS-NW-8346          
1-bromododecane
C12H25Br            (Mass of molecular ion:    248)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       9.8
      28.0       2.5
      29.0      18.5
      39.0       6.5
      40.0       1.3
      41.0      42.1
      42.0      10.9
      43.0      89.0
      44.0       3.0
      53.0       2.4
      54.0       2.3
      55.0      49.6
      56.0      15.6
      57.0     100.0
      58.0       4.5
      67.0       2.6
      68.0       2.0
      69.0      41.2
      70.0      10.5
      71.0      48.8
      72.0       2.7
      82.0       1.5
      83.0      17.6
      84.0       4.6
      85.0      26.1
      86.0       1.7
      97.0       8.0
      98.0       2.1
      99.0       6.2
     107.0       1.5
     109.0       1.5
     111.0       2.1
     113.0       4.0
     121.0       1.1
     123.0       1.0
     127.0       1.6
     135.0      60.1
     136.0       2.8
     137.0      58.4
     138.0       2.6
     149.0      10.2
     150.0       1.0
     151.0      10.0
     163.0       1.1
     165.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₅ Br	0.04 ml : 0.5 ml CDCl₃
1-bromododecane

    Assign.     Shift(ppm)

      A             3.396
      B             1.86
      C             1.50
      D          1.47 to 1.05
      E             0.88

     Hz     ppm     Int.

    311.38   3.477     89
    304.56   3.401    226
    297.94   3.327    124
    172.81   1.930     23
    172.25   1.924     22
    166.19   1.856     35
    165.81   1.852     34
    159.19   1.778     30
    129.63   1.448     25
    129.19   1.443     26
    125.50   1.402     40
    123.25   1.377     51
    113.19   1.264   1000
     84.13   0.940     46
     81.94   0.915     38
     81.44   0.910     38
     80.88   0.904     37
     78.88   0.881    160
     75.00   0.838     25
     72.88   0.814     35

in CDCl3