4-Bromo-4'-tert-butylbiphenyl(162258-89-1) IR2

Product Name4-Bromo-4'-tert-butylbiphenyl

CAS 162258-89-1

Molecular FormulaC16H17Br

Molecular Weight289.21

InChIInChI=1S/C16H17Br/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11H,1-3H3

InChIKey QYNWFBYWVPMMRL-UHFFFAOYSA-N

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

Request For Quotation

Mass

MS-IW-9743          
4-bromo-4'-tert-butylbiphenyl
C16H17Br            (Mass of molecular ion:    288)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      29.0       1.9
      39.0       3.0
      41.0      12.8
      50.0       1.1
      51.0       2.0
      55.0       1.5
      57.0       3.8
      63.0       2.6
      69.5       1.6
      70.0       1.1
      75.0       2.8
      76.0       8.7
      76.5       1.4
      77.0       2.0
      81.0       1.1
      81.5       1.8
      82.0      12.9
      82.5       9.3
      83.0      11.4
      83.5       1.8
      88.0       4.6
      88.5       1.1
      89.0       5.5
      89.5       1.0
      90.0       1.2
      91.0       1.1
      94.5       2.0
      95.0       1.3
      96.0       1.4
     101.0       1.1
     102.0       1.3
     104.5       1.0
     115.0       2.6
     116.0       1.1
     117.0       1.5
     122.5      21.4
     123.0       3.2
     123.5      20.9
     124.0       3.2
     126.0       1.5
     127.0       1.3
     128.0       1.0
     136.5       5.7
     137.0       1.3
     137.5       5.4
     138.0       1.3
     139.0       1.4
     150.0       1.9
     151.0       4.3
     152.0      10.5
     153.0       4.2
     154.0      10.5
     155.0       1.6
     165.0      14.0
     166.0       4.1
     167.0       1.3
     176.0       2.9
     177.0       2.5
     178.0      12.7
     179.0      11.8
     180.0       2.3
     189.0       1.3
     191.0       2.2
     192.0       1.9
     193.0       3.6
     194.0      22.5
     195.0       4.6
     232.0       1.5
     234.0       1.4
     245.0      11.1
     246.0       1.6
     247.0      10.7
     248.0       1.6
     258.0       1.0
     259.0       1.7
     260.0       1.0
     272.0       1.0
     273.0     100.0
     274.0      17.5
     275.0      98.1
     276.0      16.4
     277.0       1.3
     288.0      42.2
     289.0       7.6
     290.0      41.0
     291.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₇ Br	0.039 g : 0.5 ml CDCl₃
4-bromo-4'-tert-butylbiphenyl

    Assign.     Shift(ppm)

      A             7.526
      B             7.48
      C             7.46
      D             7.437
      E             1.350

     Hz     ppm     Int.

   3013.31   7.540     98
   3011.23   7.535     36
   3006.71   7.524     46
   3004.64   7.519    152
   2996.95   7.499     46
   2996.09   7.497     33
   2990.72   7.484     37
   2988.28   7.478    169
   2986.69   7.474     55
   2984.38   7.468     53
   2982.91   7.464    161
   2980.47   7.458     34
   2977.91   7.452     31
   2976.68   7.449     38
   2975.59   7.446    159
   2974.24   7.443     63
   2973.39   7.440     51
   2968.87   7.429     37
   2966.80   7.424     96
    539.79   1.351   1000

in CDCl3