4-羥基-4'-溴聯(lián)苯(29558-77-8)質(zhì)譜(MS)

產(chǎn)品名稱:4-羥基-4'-溴聯(lián)苯

CAS:29558-77-8

分子式:C12H9BrO

分子量: 249.1

InChI:InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

InChIKey: ARUBXNBYMCVENE-UHFFFAOYSA-N

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

Mass

MS-IW-1288          
4'-bromo-4-biphenylol
C12H9BrO            (Mass of molecular ion:    248)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.5
      39.0       1.5
      50.0       1.0
      51.0       1.2
      55.0       1.2
      62.0       1.1
      63.0       2.2
      69.0       1.0
      69.5       1.5
      70.0       1.7
      70.5       1.0
      75.0       1.4
      84.0       5.4
      84.5       2.3
      89.0       1.4
     113.0       1.3
     114.0       1.7
     115.0       7.6
     124.0       3.1
     125.0       3.1
     139.0       9.8
     140.0       4.7
     141.0      18.3
     142.0       2.5
     151.0       2.4
     152.0       1.9
     168.0       7.1
     169.0       4.7
     219.0       1.6
     221.0       1.5
     247.0       1.1
     248.0     100.0
     249.0      14.3
     250.0      99.0
     251.0      12.9
     252.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₉ Br O	0.035 g : 0.5 ml DMSO-d₆
4'-bromo-4-biphenylol

    Assign.     Shift(ppm)

      A             9.67
      B             7.580
      C             7.538
      D             7.496
      E             6.874

     Hz     ppm     Int.

   3867.03   9.677   1000
   3037.41   7.601     69
   3035.28   7.595    408
   3032.99   7.590    166
   3028.72   7.579    233
   3026.43   7.573    946
   3024.29   7.568    202
   3020.17   7.558     53
   3017.58   7.551    193
   3015.44   7.546    920
   3013.15   7.540    243
   3008.88   7.529    173
   3006.59   7.524    408
   3004.46   7.518     96
   3003.54   7.516    103
   3000.49   7.508    603
   2998.35   7.503    214
   2996.06   7.497     67
   2993.93   7.492    208
   2991.79   7.487    646
   2988.74   7.479     89
   2754.52   6.893     87
   2751.62   6.886    704
   2749.48   6.880    221
   2744.90   6.869    207
   2742.77   6.863    654
   2739.87   6.856     83

in DMSO-d6