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返回ChemicalBook首页>CAS数据库列表>2635-13-4更多图谱> 4-溴-1,2-亚甲二氧基苯(2635-13-4)红外图谱(IR1)

2635-13-4

4-溴-1,2-亚甲二氧基苯(2635-13-4)红外图谱(IR1)

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

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    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

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

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liquid film

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4880 A,200 M,liquid

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