溴己烷(111-25-1)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):溴己烷

CAS:111-25-1

分子式:C6H13Br

分子量: 165.07

InChI:InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N

Smiles:C(Br)CCCCC

Mass

MS2016-05353CW      
1-bromohexane
C6H13Br             (Mass of molecular ion:    164)

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

      26.0       1.8
      27.0      17.8
      28.0       4.5
      29.0      17.5
      38.0       1.1
      39.0      15.7
      40.0       2.5
      41.0      47.3
      42.0      22.8
      43.0     100.0
      44.0       3.2
      50.0       1.1
      51.0       1.6
      53.0       4.1
      54.0       2.6
      55.0      56.4
      56.0      27.1
      57.0      19.8
      67.0       1.8
      69.0      12.4
      83.0       1.1
      84.0      10.5
      85.0      60.2
      86.0       4.0
     107.0       3.8
     109.0       3.6
     135.0      46.2
     136.0       2.1
     137.0      45.0
     138.0       2.0
     164.0       2.4
     166.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ Br	0.05 ml : 0.5 ml CDCl₃
1-bromohexane

    Assign.     Shift(ppm)

      A             3.404
      B             1.852
      C             1.43
      D             1.31
      E             0.898

     Hz     ppm     Int.

   1367.55   3.422    485
   1360.72   3.405    942
   1353.88   3.388    515
    755.00   1.890    118
    748.05   1.872    300
    745.24   1.865     73
    740.84   1.854    347
    733.15   1.835    316
    726.20   1.818    139
    587.16   1.470     66
    580.20   1.452    145
    579.35   1.450    148
    573.12   1.435    210
    572.27   1.432    204
    568.12   1.422    114
    567.02   1.419    124
    565.19   1.415    177
    557.98   1.397     83
    542.72   1.358     53
    539.79   1.351     73
    539.43   1.350     74
    533.57   1.336    148
    531.62   1.331    151
    527.59   1.321    314
    525.15   1.315    567
    522.09   1.307    431
    520.87   1.304    398
    517.94   1.296    373
    515.38   1.290    269
    511.60   1.281    134
    508.30   1.272     79
    506.47   1.268     56
    504.64   1.263     40
    503.66   1.261     45
    365.97   0.916    390
    359.01   0.899   1000
    352.05   0.881    440

in CDCl3