3972-65-4

4-叔丁基溴苯(3972-65-4)Raman光谱

产品名称:4-叔丁基溴苯

CAS:3972-65-4

分子式:C10H13Br

分子量: 213.11

InChI:InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChIKey: XHCAGOVGSDHHNP-UHFFFAOYSA-N

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

Mass

MS-IW-7587          
1-bromo-4-tert-butylbenzene
C10H13Br            (Mass of molecular ion:    212)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.6
      29.0       1.8
      39.0       5.5
      41.0      20.6
      50.0       4.4
      51.0       7.8
      52.0       1.1
      55.0       1.0
      57.0       2.8
      57.5       3.9
      58.0       8.8
      58.5       1.4
      62.0       1.0
      63.0       2.9
      64.0       1.5
      65.0       2.8
      74.0       2.1
      75.0       4.2
      76.0       3.5
      77.0       8.1
      78.0       2.8
      89.0       2.8
      90.0       4.3
      91.0       6.0
      98.5       1.4
      99.5       1.0
     101.0       1.7
     102.0       7.7
     103.0       4.4
     104.0       1.0
     105.0       1.4
     115.0       7.7
     116.0       2.9
     117.0      12.9
     118.0      33.5
     119.0       3.6
     133.0       1.2
     157.0       2.1
     159.0       1.6
     169.0      21.9
     170.0       1.7
     171.0      21.6
     172.0       1.7
     181.0       1.3
     183.0       1.4
     197.0     100.0
     198.0      10.4
     199.0      97.7
     200.0       9.8
     212.0      22.4
     213.0       2.5
     214.0      21.8
     215.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₃ Br	0.05 ml : 0.5 ml CDCl₃
1-bromo-4-tert-butylbenzene

    Assign.     Shift(ppm)

      A             7.386
      B             7.234
      C             1.278

     Hz     ppm     Int.

   2957.15   7.400    139
   2955.08   7.395     52
   2950.44   7.383     56
   2948.24   7.378    190
   2945.68   7.371     29
   2897.95   7.252     24
   2895.26   7.245    180
   2893.19   7.240     59
   2888.55   7.228     49
   2886.47   7.223    143
    510.86   1.279   1000

in CDCl3