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Back ChemicalBook Home>CAS DataBase List>1522-92-5More Spectrum> 3-Bromo-2,2-bis(bromomethyl)propanol(1522-92-5) 1H NMR

3-Bromo-2,2-bis(bromomethyl)propanol(1522-92-5) 1H NMR

Molecular FormulaC5H9Br3O

Molecular Weight324.84

InChIInChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2

InChIKey QEJPOEGPNIVDMK-UHFFFAOYSA-N

SmilesC(O)C(CBr)(CBr)CBr


  • Mass

    MS-IW-9348          
    3-bromo-2,2-bis(bromomethyl)-1-propanol
    C5H9Br3O            (Mass of molecular ion:    322)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          26.0       1.3
          27.0      11.1
          28.0       1.5
          29.0       5.7
          31.0      16.8
          38.0       1.8
          39.0      12.6
          40.0       1.2
          41.0      10.3
          43.0       2.5
          50.0       1.7
          51.0       5.3
          52.0       2.0
          53.0      39.0
          54.0       3.9
          55.0       6.4
          57.0       2.4
          65.0       2.3
          66.0       1.5
          69.0       1.4
          80.0       1.6
          82.0       1.7
          93.0       2.9
          95.0       2.7
         107.0       2.0
         109.0       1.3
         119.0       2.2
         121.0       2.9
         123.0       1.5
         131.0       2.5
         132.0       5.4
         133.0      39.0
         134.0       6.8
         135.0      36.4
         136.0       1.6
         145.0       1.1
         147.0       1.1
         163.0      10.4
         165.0      10.2
         212.0      51.2
         213.0       5.7
         214.0     100.0
         215.0       8.8
         216.0      48.4
         217.0       4.0
         225.0       2.6
         227.0       5.1
         229.0       2.5
         242.0       2.2
         244.0       4.0
         245.0       1.6
         246.0       2.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H9 Br3 O 0.042 g : 0.5 ml CDCl3
    3-bromo-2,2-bis(bromomethyl)-1-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.749 B 3.543 C 1.90

         Hz     ppm     Int.
    

       1500.85   3.756     82
       1495.61   3.743     80
       1415.89   3.543   1000
        758.42   1.898     36
    

in CDCl3



KBr disc



nujol mull



3-Bromo-2,2-bis(bromomethyl)propanol(1522-92-5) 1H NMR Atlas of Related Products

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