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39149-80-9

2-溴丙酸叔丁酯(39149-80-9)紅外圖譜(IR1)

產(chǎn)品名稱:2-溴丙酸叔丁酯

CAS:39149-80-9

分子式:C7H13BrO2

分子量: 209.08

InChI:InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3

InChIKey: CVAWKJKISIPBOD-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-1898          
tert-butyl 2-bromopropionate
C7H13BrO2           (Mass of molecular ion:    208)


       Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          26.0       1.4
      27.0       9.1
      28.0       4.4
      29.0      13.1
      39.0       4.7
      41.0      24.0
      42.0       1.4
      43.0       4.1
      55.0       3.1
      56.0       7.8
      57.0     100.0
      58.0       5.1
      59.0      13.3
     107.0      11.0
     109.0      10.8
     135.0      13.2
     137.0      12.7
     193.0       3.6
     195.0       3.6

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3
    tert-butyl 2-bromopropionate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         4.269
      D(B)         1.774
       J(A,B)          6.9
     
      D(C)         1.481
  

         Hz     ppm     Int.


       1291.10   4.304     14
   1284.21   4.281     41
   1277.32   4.258     42
   1270.42   4.235     14
    535.63   1.785    168
    528.77   1.763    165
    444.30   1.481   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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