41492-05-1

對丁基溴苯(41492-05-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:對丁基溴苯

CAS:41492-05-1

分子式:C10H13Br

分子量: 213.11

InChI:InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N

Smiles:C1(Br)=CC=C(CCCC)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9540          
1-bromo-4-butylbenzene
C10H13Br            (Mass of molecular ion:    212)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       5.1
      29.0       2.2
      38.0       1.0
      39.0       6.0
      41.0       4.4
      43.0       3.8
      50.0       3.9
      51.0       6.2
      52.0       1.2
      57.5       1.1
      58.0       1.2
      62.0       1.6
      63.0       6.0
      64.0       2.6
      65.0       3.0
      74.0       1.5
      75.0       3.0
      76.0       2.5
      77.0       8.7
      78.0       3.2
      89.0      12.1
      90.0      20.6
      91.0      32.3
      92.0       2.5
     102.0       2.4
     103.0       5.2
     104.0       7.9
     105.0       2.5
     115.0       2.4
     116.0       1.7
     117.0       1.3
     133.0       4.5
     156.0       1.6
     158.0       1.6
     169.0     100.0
     170.0      14.2
     171.0      97.6
     172.0      13.9
     183.0       1.1
     185.0       1.0
     212.0      25.0
     213.0       2.8
     214.0      24.4
     215.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₃ Br	0.05 ml : 0.5 ml CDCl₃
1-bromo-4-butylbenzene

    Assign.     Shift(ppm)

      A             7.359
      B             7.019
      C             2.532
      D             1.548
      E             1.320
      F             0.887

     Hz     ppm     Int.

   2948.12   7.377    107
   2945.56   7.371    537
   2943.85   7.367    199
   2939.09   7.355    224
   2937.38   7.350    573
   2934.81   7.344     87
   2811.28   7.035    115
   2808.84   7.029    503
   2802.25   7.012    193
   2800.54   7.008    424
   2800.17   7.007    407
   1019.78   2.552    268
   1012.08   2.533    360
   1004.27   2.513    277
    634.16   1.587     90
    627.93   1.572    137
    626.71   1.569    179
    624.76   1.564    121
    620.85   1.554    151
    619.02   1.549    297
    616.21   1.542    131
    612.43   1.533    149
    611.33   1.530    201
    603.64   1.511    107
    545.90   1.366     59
    538.57   1.348    178
    531.13   1.329    254
    523.44   1.310    249
    516.11   1.292    161
    508.79   1.274     50
    376.10   0.942     30
    375.85   0.941     30
    375.12   0.939     30
    369.38   0.925    584
    366.58   0.918     71
    362.06   0.906   1000
    354.74   0.888    490

in CDCl3