4-BROMOMETHYLBIPHENYL(2567-29-5) ¹³C NMR

Product Name4-BROMOMETHYLBIPHENYL

CAS 2567-29-5

Molecular FormulaC13H11Br

Molecular Weight247.13

InChIInChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2

InChIKey HZQLUIZFUXNFHK-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)=CC=C(CBr)C=C1

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Mass

MS-IW-9338          
4-(bromomethyl)biphenyl
C13H11Br            (Mass of molecular ion:    246)

   Source Temperature: 140 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      39.0       1.7
      50.0       1.0
      51.0       1.5
      57.5       1.7
      63.0       2.4
      69.5       2.6
      70.5       2.5
      76.0       1.9
      81.5       1.2
      82.0       5.4
      82.5       7.2
      83.0       4.9
      83.5      11.3
      84.0       1.6
      89.0       1.5
     115.0       2.6
     128.0       1.6
     139.0       2.4
     152.0       6.3
     163.0       1.8
     164.0       2.2
     165.0      17.9
     166.0       5.0
     167.0     100.0
     168.0      15.1
     169.0       1.1
     246.0       5.6
     248.0       5.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ Br	0.039 g : 0.5 ml CDCl₃
4-(bromomethyl)biphenyl

    Assign.     Shift(ppm)

      A             7.57
      B             7.554
      C             7.448
      D             7.430
      E             7.350
      F             4.529

     Hz     ppm     Int.

   3029.91   7.582    262
   3028.56   7.579    356
   3026.49   7.573    131
   3023.68   7.566    432
   3021.48   7.561    469
   3020.87   7.559    335
   3020.26   7.558    350
   3017.33   7.550    182
   3015.38   7.546    517
   3013.43   7.541     99
   2982.30   7.463    103
   2980.35   7.458    498
   2978.52   7.453    211
   2977.78   7.451    212
   2976.81   7.449    239
   2974.98   7.444    122
   2973.88   7.442    156
   2971.92   7.437    374
   2969.60   7.431    446
   2968.14   7.427    211
   2963.38   7.415    118
   2961.91   7.412    222
   2959.84   7.407     46
   2944.34   7.368     98
   2942.99   7.364    180
   2941.65   7.361    103
   2937.74   7.351     73
   2935.55   7.346    186
   2933.47   7.341     57
   2929.57   7.331     45
   2928.34   7.328     76
   2927.00   7.324     41
   1810.06   4.530   1000

in CDCl3