1-溴代庚烷(629-04-9)質(zhì)譜(MS)

產(chǎn)品名稱:1-溴代庚烷

CAS:629-04-9

分子式:C7H15Br

分子量: 179.1

InChI:InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChIKey: LSXKDWGTSHCFPP-UHFFFAOYSA-N

Smiles:C(Br)CCCCCC

Mass

MS2015-05121CW      
1-bromoheptane
C7H15Br             (Mass of molecular ion:    178)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      14.0       1.1
      18.0       1.5
      26.0       1.7
      27.0      10.2
      29.0      14.8
      38.0       1.3
      39.0       9.2
      40.0       5.0
      41.0      43.9
      42.0      13.9
      43.0      37.5
      44.0       2.6
      50.0       1.1
      51.0       2.2
      52.0       1.0
      53.0       7.2
      54.0       5.6
      55.0      43.5
      56.0      34.0
      57.0      92.9
      58.0       8.2
      65.0       1.1
      67.0       4.0
      68.0       3.0
      69.0      29.0
      70.0      13.4
      71.0       5.1
      81.0       1.4
      83.0       3.9
      84.0       1.1
      85.0       3.9
      93.0       1.4
      95.0       1.4
      97.0       1.6
      98.0      16.8
      99.0       2.4
     107.0       6.1
     109.0       5.8
     121.0       1.1
     135.0      64.2
     136.0       4.6
     137.0     100.0
     138.0       4.3
     149.0       6.4
     151.0       6.3
     178.0       2.2
     180.0       2.3

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₅ Br	0.04 ml : 0.5 ml CDCl₃
1-bromoheptane

    Assign.     Shift(ppm)

      A             0.89
      B          1.14 to 1.61
      C             1.847
      D             3.399

     Hz     ppm     Int.

    311.63   3.480    384
    309.88   3.461     41
    304.81   3.404   1000
    297.94   3.327    542
    296.31   3.309     39
    173.19   1.934    101
    166.50   1.860    158
    159.56   1.782    138
    118.06   1.319    855
     84.88   0.948    191
     79.50   0.888    724
     73.38   0.820    143

in CDCl3