63619-59-0

對溴戊基聯(lián)苯(63619-59-0)質譜(MS)

產(chǎn)品名稱:對溴戊基聯(lián)苯

CAS:63619-59-0

分子式:C17H19Br

分子量: 303.24

InChI:InChI=1S/C17H19Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h6-13H,2-5H2,1H3

InChIKey: VXJTWTJULLKDPY-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(CCCCC)C=C2)=CC=C(Br)C=C1

Mass

MS-NW-9389          
4-bromo-4'-pentylbiphenyl
C17H19Br            (Mass of molecular ion:    302)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.6
      27.0       3.4
      29.0       5.2
      39.0       2.0
      41.0       3.7
      43.0       1.9
      63.0       1.3
      89.0       1.1
     115.0       2.3
     139.0       2.8
     151.0       1.9
     152.0       5.4
     153.0       2.2
     163.0       2.3
     164.0       3.2
     165.0      36.2
     166.0      10.5
     167.0       4.2
     178.0       4.1
     179.0       2.1
     180.0       3.0
     232.0       1.3
     234.0       1.2
     245.0     100.0
     246.0      16.5
     247.0      96.6
     248.0      15.7
     249.0       1.2
     258.0       1.5
     259.0       1.0
     260.0       1.6
     302.0      83.4
     303.0      15.8
     304.0      81.4
     305.0      15.3
     306.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₉ Br	0.035 g : 0.5 ml CDCl₃
4-bromo-4'-pentylbiphenyl

    Assign.     Shift(ppm)

      A             7.526
      B             7.45
      C             7.43
      D             7.24
      E             2.628
      F             1.639
      G             1.342
      J             0.901

     Hz     ppm     Int.

   3015.38   7.546     80
   3012.94   7.539    593
   3010.86   7.534    224
   3009.28   7.530     43
   3006.35   7.523    274
   3004.27   7.518   1000
   3001.83   7.512    144
   2985.47   7.471     92
   2983.40   7.466    537
   2981.45   7.461    200
   2977.05   7.450    255
   2975.10   7.445    766
   2973.51   7.441    982
   2971.44   7.436    291
   2968.87   7.429     45
   2966.92   7.424    227
   2964.84   7.419    664
   2962.40   7.413     77
   2899.41   7.255    101
   2897.46   7.250    539
   2895.51   7.246    188
   2893.31   7.240     55
   2890.99   7.234    178
   1058.47   2.649    259
   1050.78   2.630    317
   1042.85   2.610    276
    670.29   1.678     48
    668.33   1.673     34
    662.96   1.659    127
    661.01   1.654    103
    657.96   1.647     99
    655.40   1.640    169
    652.34   1.633    113
    649.54   1.626     95
    647.83   1.621    125
    640.26   1.603     51
    549.93   1.377     50
    548.83   1.374     51
    545.17   1.365    126
    542.36   1.358    426
    538.70   1.348    352
    536.99   1.344    272
    535.03   1.339    599
    531.86   1.331    259
    527.95   1.322    189
    524.66   1.313     55
    522.09   1.307     30
    369.75   0.926     48
    366.70   0.918    293
    364.26   0.912    159
    361.57   0.905    270
    359.74   0.901    913
    354.49   0.888    160
    352.66   0.883    262
    350.10   0.877     40

in CDCl3