2635-13-4

4-溴-1,2-亚甲二氧基苯(2635-13-4)红外图谱(IR1)

产品名称:4-溴-1,2-亚甲二氧基苯

CAS:2635-13-4

分子式:C7H5BrO2

分子量: 201.02

InChI:InChI=1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

InChIKey: FBOYMIDCHINJKC-UHFFFAOYSA-N

Smiles:O1C2=CC=C(Br)C=C2OC1

Mass

MS-NW-8541          
4-bromo-1,2-methylenedioxybenzene
C7H5BrO2            (Mass of molecular ion:    200)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       1.2
      28.0       1.9
      29.0       4.6
      32.0       1.1
      37.0       7.4
      38.0       6.0
      39.0       7.5
      42.0       1.0
      46.0       1.0
      49.0       3.5
      50.0       8.8
      51.0       8.6
      53.0       8.0
      60.0       1.7
      61.0      11.9
      62.0      26.9
      63.0      83.4
      64.0       7.0
      65.0      25.5
      66.0       2.2
      72.0       1.3
      73.0       1.0
      74.0       1.2
      79.0      10.2
      80.0       1.0
      90.0       1.3
      91.0       4.0
      92.0       2.2
      93.0       1.8
      99.5       2.2
     100.0       4.7
     100.5       2.5
     101.0       4.7
     117.0       1.4
     119.0       1.3
     120.0       1.3
     121.0       4.3
     141.0       1.1
     142.0       4.8
     143.0       4.6
     144.0       5.5
     145.0       3.6
     146.0       1.0
     170.0       1.1
     172.0       1.2
     199.0      70.2
     200.0     100.0
     201.0      76.1
     202.0      97.1
     203.0       7.6

parameter in CDCl3

¹H NMR	300 MHz
C₇ H₅ Br O₂	0.05 ml : 0.5 ml CDCl₃
4-bromo-1,2-methylenedioxybenzene

    Parameter     ppm  Hz

      D(A)         6.917
      D(B)         6.905
      D(C)         6.643
       J(A,B)          1.94
       J(A,C)          0.40
       J(B,C)          8.23
     
      D(D)         5.920

     Hz     ppm     Int.

   2075.59   6.919    512
   2074.08   6.914    194
   2068.44   6.895    178
   2066.52   6.888    111
   1997.05   6.657    173
   1995.49   6.652     77
   1989.89   6.633     67
   1988.32   6.628    139
   1776.00   5.920   1000

in CDCl3