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22591-21-5

1,1-二氯频哪酮(22591-21-5)红外图谱(IR1)

产品名称:1,1-二氯频哪酮

CAS:22591-21-5

分子式:C6H10Cl2O

分子量: 169.05

InChI:InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

InChIKey: UDWZXMQIEHAAQT-UHFFFAOYSA-N

Smiles:C(Cl)(Cl)C(=O)C(C)(C)C

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    Mass

    MS-IW-5079          
    1,1-dichloro-3,3-dimethyl-2-butanone
    C6H10Cl2O           (Mass of molecular ion:    168)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       5.2
          29.0      31.3
          36.0       1.4
          38.0       1.1
          39.0      10.7
          40.0       1.5
          41.0      50.0
          42.0       3.2
          43.0       1.3
          48.0       1.8
          49.0       1.2
          50.0       1.1
          51.0       1.2
          53.0       3.3
          55.0       4.1
          56.0       2.4
          57.0     100.0
          58.0       7.3
          63.0       1.3
          67.0       1.1
          69.0       1.2
          76.0       1.8
          77.0       2.0
          83.0       5.2
          85.0      36.0
          86.0       2.1
          89.0       3.0
          91.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H10 Cl2 O 0.041 g : 0.5 ml CDCl3
    1,1-dichloro-3,3-dimethyl-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.375 B 1.287

         Hz     ppm     Int.
    

       2547.73   6.375    235
        514.53   1.288   1000
    

in CDCl3

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KBr disc

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nujol mull

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