1646-53-3

1-溴-2，3，5，6-四甲基苯(1646-53-3)Raman光谱

产品名称:1-溴-2，3，5，6-四甲基苯

CAS:1646-53-3

分子式:C10H13Br

分子量: 213.11

InChI:InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3

InChIKey: WJKBPTLQJXKEHC-UHFFFAOYSA-N

Smiles:C1(C)=CC(C)=C(C)C(Br)=C1C

Mass

MS-NW-7116          
bromodurene
C10H13Br            (Mass of molecular ion:    212)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.7
      38.0       1.3
      39.0      11.0
      40.0       1.6
      41.0       8.3
      50.0       2.4
      51.0       9.0
      52.0       2.7
      53.0       4.2
      55.0       2.1
      57.5       1.3
      58.0       1.0
      62.0       1.7
      63.0       5.4
      64.0       8.2
      64.5       1.8
      65.0       9.0
      66.0       2.5
      74.0       1.3
      75.0       1.5
      76.0       1.0
      77.0       7.0
      78.0       2.4
      79.0       3.0
      89.0       1.8
      91.0      15.1
      92.0       2.0
      93.0       2.6
     102.0       1.3
     103.0       3.0
     104.0       1.2
     105.0      10.6
     106.0       1.8
     115.0      12.1
     116.0       5.4
     117.0      15.6
     118.0       7.3
     119.0       1.5
     128.0       1.7
     129.0       1.5
     131.0       4.4
     132.0       2.7
     133.0     100.0
     134.0      11.3
     197.0       9.7
     198.0       1.1
     199.0       9.5
     200.0       1.1
     211.0       3.4
     212.0      48.0
     213.0       8.5
     214.0      46.4
     215.0       5.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₃ Br	0.046 g : 0.5 ml CDCl₃
bromodurene

    Assign.     Shift(ppm)

      A             6.866
      B     *1      2.343
      C     *1      2.258

     Hz     ppm     Int.

    615.06   6.868    128
    209.94   2.345   1000
    202.25   2.259    952

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder