619-42-1

对溴苯甲酸甲酯(619-42-1)红外图谱(IR2)

产品名称:对溴苯甲酸甲酯

CAS:619-42-1

分子式:C8H7BrO2

分子量: 215.04

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

InChIKey: CZNGTXVOZOWWKM-UHFFFAOYSA-N

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

Mass

MS-NW-1561          
methyl p-bromobenzoate
C8H7BrO2            (Mass of molecular ion:    214)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       6.0
      18.0       1.7
      28.0       1.4
      29.0       2.7
      37.0       4.1
      38.0       9.1
      39.0       2.2
      49.0       3.5
      50.0      45.4
      51.0       7.2
      52.0       1.7
      53.0       1.7
      59.0       2.2
      61.0       1.3
      62.0       1.5
      63.0       2.7
      64.0       1.2
      67.0       1.4
      73.0       5.0
      74.0      23.5
      75.0      43.8
      76.0      43.5
      77.0       5.3
      91.0       1.4
      92.0       1.1
     103.0       1.5
     104.0       6.3
     119.0       1.1
     120.0       1.0
     129.0       1.2
     131.0       1.1
     135.0       5.2
     155.0      38.2
     156.0       3.2
     157.0      37.1
     158.0       2.6
     183.0     100.0
     184.0       8.0
     185.0      97.0
     186.0       8.0
     213.0       1.7
     214.0      35.3
     215.0       4.8
     216.0      34.4
     217.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Br O₂	0.044 g : 0.5 ml CDCl₃
methyl p-bromobenzoate

    Assign.     Shift(ppm)

      A             7.887
      B             7.578
      C             3.909

     Hz     ppm     Int.

    711.69   7.947    129
    709.69   7.925     49
    705.06   7.873     69
    702.88   7.849    214
    700.88   7.826     42
    683.88   7.637     45
    681.94   7.615    219
    679.81   7.591     63
    675.13   7.539     50
    673.56   7.521     86
    673.06   7.516    126
    352.00   3.931     67
    350.13   3.910   1000

in CDCl3