51329-15-8

3,5--二溴苯甲酸甲酯(51329-15-8)质谱(MS)

产品名称:3,5--二溴苯甲酸甲酯

CAS:51329-15-8

分子式:C8H6Br2O2

分子量: 293.94

InChI:InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3

InChIKey: GSMAWUZTAIOCPL-UHFFFAOYSA-N

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

Mass

MS2014-05038CW      
methyl 3,5-dibromobenzoate
C8H6Br2O2           (Mass of molecular ion:    292)

   Source Temperature: 240 °C
   Sample Temperature:  30 °C
   Direct, 70 eV

      15.0       3.2
      18.0       2.9
      29.0       2.1
      37.0       2.5
      38.0       1.9
      49.0       1.9
      50.0       4.7
      53.0       1.1
      59.0       3.1
      61.0       1.2
      62.0       1.5
      63.0       3.4
      67.0       2.4
      73.0       7.6
      74.0      38.6
      75.0      50.5
      76.0       4.1
      77.0       1.9
      78.0       2.3
      89.0       1.0
     106.5       2.0
     107.5       2.0
     128.0       1.1
     130.0       1.1
     153.0       7.7
     154.0      12.7
     155.0       9.4
     156.0      12.1
     157.0       2.1
     170.0       1.5
     172.0       1.4
     183.0       1.0
     197.0       2.6
     198.0       3.6
     199.0       2.9
     200.0       3.5
     213.0       2.5
     215.0       2.5
     233.0      17.7
     234.0       1.6
     235.0      34.8
     236.0       2.8
     237.0      16.9
     238.0       1.3
     261.0      54.6
     262.0       4.5
     263.0     100.0
     264.0       8.6
     265.0      52.5
     266.0       4.2
     274.0       1.0
     276.0       2.1
     278.0       1.2
     291.0       1.4
     292.0      35.2
     293.0       5.8
     294.0      69.4
     295.0       7.4
     296.0      33.5
     297.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ Br₂ O₂	0.015 g : 0.5 ml CDCl₃
methyl 3,5-dibromobenzoate

    Assign.     Shift(ppm)

      A             8.107
      B             7.849
      C             3.934

     Hz     ppm     Int.

   3240.84   8.110    393
   3239.01   8.105    404
   3138.92   7.855    106
   3137.08   7.850    194
   3135.25   7.845     97
   1572.51   3.935   1000

in CDCl3