1522-92-5

三溴新戊醇(1522-92-5)红外图谱(IR2)

产品名称:三溴新戊醇

CAS:1522-92-5

分子式:C5H9Br3O

分子量: 324.84

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

InChIKey: QEJPOEGPNIVDMK-UHFFFAOYSA-N

Smiles:C(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

    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

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