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7431-25-6

3-羟基-3-甲基-2-丁酮肟(7431-25-6)Raman光谱

分子式:C5H11NO2

分子量: 117.15

InChI:InChI=1S/C5H11NO2/c1-4(6-8)5(2,3)7/h7-8H,1-3H3

InChIKey: QKLLBCGVADVPKD-UHFFFAOYSA-N

Smiles:CC(=NO)C(O)(C)C

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    Mass

    MS-NW-1273          
    3-hydroxy-3-methyl-2-butanone oxime
    C5H11NO2            (Mass of molecular ion:    117)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.7
          15.0      16.0
          18.0       3.6
          26.0       1.6
          27.0       6.2
          28.0       4.3
          29.0       3.8
          31.0      21.5
          38.0       1.7
          39.0       8.0
          40.0       6.6
          41.0      24.8
          42.0      36.6
          43.0      51.2
          44.0       2.1
          53.0       1.1
          55.0       1.0
          56.0       3.2
          57.0       2.1
          58.0      12.6
          59.0     100.0
          60.0      18.7
          69.0       5.0
          71.0       3.0
          74.0      24.7
          75.0       1.0
          83.0       1.0
          84.0       7.9
          85.0       1.9
          99.0       2.6
         100.0      10.8
         102.0      44.4
         103.0       2.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H11 N O2 0.048 g : 0.5 ml CDCl3
    3-hydroxy-3-methyl-2-butanone oxime
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9. B 4. C 1.912 D 1.381

         Hz     ppm     Int.
    

        171.24   1.913    512
        123.65   1.381   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,liquid

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