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网站主页CAS数据库列表 14473-91-7更多图谱3-溴肉桂酸(14473-91-7)红外图谱(IR2)

3-溴肉桂酸

产品名称 3-溴肉桂酸

CAS号14473-91-7

分子式C9H7BrO2

分子量227.05

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  • Mass

    MS-NW-9714          
    trans-3-bromocinnamic acid
    C9H7BrO2            (Mass of molecular ion:    226)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       3.7
          27.0       1.3
          37.0       1.0
          38.0       2.3
          39.0       4.2
          43.0       1.0
          45.0       3.3
          45.5       1.3
          49.0       1.9
          50.0      18.1
          50.5       1.1
          51.0      32.3
          51.5       1.5
          52.0       6.2
          53.0       1.5
          55.0       1.0
          59.0       4.8
          59.5       1.5
          61.0       1.9
          62.0       4.0
          63.0       8.0
          64.0       1.4
          65.0       8.5
          69.0       2.2
          71.0       1.8
          73.0       5.9
          73.5       9.3
          74.0      14.3
          75.0      28.2
          76.0      22.4
          77.0      12.5
          78.0       2.1
          79.0       4.5
          87.0       1.3
          89.0       4.1
          90.0       4.4
          90.5       1.4
          91.0      33.0
          91.5       1.4
          92.0       2.8
          98.0       2.5
          99.0       1.6
         100.0       1.5
         101.0      20.6
         102.0      81.4
         103.0      26.9
         104.0       2.2
         104.5       1.0
         118.0       8.5
         119.0       9.8
         129.0       1.8
         130.0       8.1
         131.0       1.2
         146.0       1.0
         147.0      62.4
         148.0       7.3
         155.0       2.1
         156.0       1.4
         157.0       3.1
         158.0       1.2
         159.0       1.1
         169.0       2.1
         171.0       2.1
         172.0       1.1
         180.0      10.1
         181.0      16.0
         182.0      11.4
         183.0      16.4
         184.0       2.6
         185.0       2.2
         187.0       1.1
         198.0       2.2
         199.0       1.0
         200.0       2.2
         208.0       5.4
         209.0      17.7
         210.0       7.1
         211.0      17.0
         212.0       1.7
         225.0      62.7
         226.0     100.0
         227.0      71.1
         228.0      98.0
         229.0       9.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H7 Br O2 0.038 g : 0.5 ml DMSO-d6
    trans-3-bromocinnamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.6 B 7.950 C 7.722 D 7.61 E 7.584 F 7.383 G 6.633

         Hz     ppm     Int.
    

       5015.64  12.551     73
       3179.04   7.955    466
       3177.39   7.951    797
       3175.74   7.947    502
       3090.57   7.734    392
       3082.69   7.714    444
       3045.33   7.620    302
       3044.59   7.619    340
       3043.49   7.616    337
       3042.58   7.614    317
       3038.92   7.604    752
       3037.45   7.601    489
       3036.53   7.598    459
       3035.44   7.596    445
       3034.70   7.594    374
       3022.98   7.565    754
       2958.32   7.403    509
       2954.48   7.393     52
       2950.45   7.383    843
       2942.57   7.363    395
       2658.84   6.653   1000
       2642.91   6.614    941
    

in DMSO-d6



KBr disc



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