25016-01-7

5-溴-2-甲氧基苯甲醛(25016-01-7)质谱(MS)

产品名称:5-溴-2-甲氧基苯甲醛

CAS:25016-01-7

分子式:C8H7BrO2

分子量: 215.04

InChI:InChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

InChIKey: IJIBRSFAXRFPPN-UHFFFAOYSA-N

Smiles:C(=O)C1=CC(Br)=CC=C1OC

Mass

MS-NW-6335          
5-bromo-o-anisaldehyde
C8H7BrO2            (Mass of molecular ion:    214)

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

      15.0       5.0
      18.0       3.1
      26.0       1.4
      27.0       1.5
      28.0       2.5
      29.0       9.1
      31.0       5.1
      36.0       1.0
      37.0       9.1
      38.0      14.4
      39.0       6.1
      43.0       1.7
      45.0       1.0
      49.0       3.9
      50.0      25.7
      51.0      11.4
      52.0       1.5
      53.0      11.1
      60.0       1.3
      61.0       7.6
      62.0      16.2
      63.0      52.5
      64.0      16.9
      65.0       1.7
      66.0       2.1
      67.5       1.3
      73.0       5.4
      74.0      23.0
      75.0      38.8
      76.0      17.7
      77.0      34.4
      78.0      13.1
      79.0      16.9
      80.0       1.5
      89.0       6.0
      90.0       1.6
      91.0       3.4
      92.0      11.8
      93.0       1.1
     103.0       1.2
     105.0       1.4
     106.0       2.3
     107.0       8.3
     116.0       1.2
     117.0       4.1
     118.0      31.8
     119.0       5.3
     120.0       2.7
     134.0       4.9
     135.0       7.5
     142.0       3.6
     143.0      22.1
     144.0       4.1
     145.0      20.6
     146.0       1.2
     154.0      18.8
     155.0      22.4
     156.0      21.7
     157.0      24.8
     158.0       4.5
     159.0       4.7
     168.0      17.9
     169.0       5.3
     170.0      30.9
     171.0      15.7
     172.0      22.2
     173.0      11.8
     174.0       6.2
     182.0      12.3
     183.0      10.1
     184.0      12.4
     185.0      19.7
     186.0       2.6
     187.0      10.5
     188.0       1.7
     196.0      31.2
     197.0      23.8
     198.0      36.9
     199.0      38.8
     200.0       9.2
     201.0      15.8
     202.0       1.6
     213.0      29.6
     214.0     100.0
     215.0      36.1
     216.0      91.3
     217.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Br O₂	0.044 g : 0.5 ml CDCl₃
5-bromo-o-anisaldehyde

    Assign.     Shift(ppm)

      A            10.380
      B             7.910
      C             7.623
      D             6.899
      E             3.925
     
     J(B,C)=2.6HZ, J(B,D)=0.3HZ, J(C,D)=8.8HZ

     Hz     ppm     Int.

    929.74  10.382    608
    710.01   7.928    161
    707.37   7.899    203
    688.84   7.692    110
    686.21   7.663     86
    679.98   7.593    136
    677.34   7.563    117
    621.61   6.941    146
    612.82   6.843    111
    351.56   3.926   1000

in CDCl3