103-63-9

β-溴苯乙烷(103-63-9)核磁图(¹³CNMR)

产品名称:β-溴苯乙烷

CAS:103-63-9

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: WMPPDTMATNBGJN-UHFFFAOYSA-N

Smiles:C1(CCBr)=CC=CC=C1

Mass

MS-NW-8367          
phenethyl bromide
C8H9Br              (Mass of molecular ion:    184)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      27.0       3.9
      38.0       1.2
      39.0       5.3
      50.0       5.0
      51.0      12.9
      52.0       2.9
      62.0       1.2
      63.0       3.3
      65.0       6.1
      74.0       1.7
      75.0       1.3
      76.0       1.5
      77.0      13.9
      78.0       6.7
      79.0       9.5
      89.0       1.6
      91.0     100.0
      92.0       7.7
     102.0       1.4
     103.0       8.2
     104.0       8.1
     105.0      63.0
     106.0       5.6
     184.0      19.1
     185.0       1.7
     186.0      18.6
     187.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ Br	0.04 ml : 0.5 ml CDCl₃
phenethyl bromide

    Assign.     Shift(ppm)

      A          7.34 to 7.15
      B             3.535
      C             3.154

     Hz     ppm     Int.

    658.56   7.354    112
    656.50   7.331     98
    655.00   7.314    141
    652.06   7.281    390
    650.00   7.258   1000
    647.50   7.230    978
    645.19   7.204    314
    643.06   7.181    226
    640.69   7.154     97
    640.31   7.150     93
    638.88   7.134    113
    326.56   3.647    211
    324.81   3.627    244
    319.63   3.569    270
    318.13   3.553    436
    317.69   3.548    494
    317.13   3.541    421
    311.25   3.476    508
    310.31   3.465    509
    288.56   3.222    359
    287.94   3.216    353
    281.25   3.141    394
    279.44   3.121    206
    274.19   3.062    143
    272.44   3.042    137

in CDCl3