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10303-64-7

DL-Α-羟基异己酸(10303-64-7)红外图谱(IR2)

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N

Smiles:C(O)(C(=O)O)CC(C)C

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    Mass

    MS-NW-4655          
    DL-2-hydroxy-4-methylvaleric acid
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.9
          17.0       1.0
          18.0       4.8
          19.0       5.5
          26.0       1.4
          27.0      22.4
          28.0       5.5
          29.0      23.0
          30.0       1.2
          31.0       4.5
          38.0       1.5
          39.0      15.3
          40.0       2.5
          41.0      55.6
          42.0       8.3
          43.0      96.7
          44.0      12.4
          45.0      48.0
          46.0       1.2
          47.0       1.0
          51.0       1.1
          53.0       4.2
          55.0       7.3
          56.0       1.3
          57.0      26.0
          58.0       5.2
          59.0       2.8
          60.0       1.2
          67.0       1.8
          68.0       1.1
          69.0     100.0
          70.0       6.2
          71.0      10.9
          72.0       6.3
          73.0       3.5
          75.0       4.3
          76.0      27.4
          77.0       1.1
          81.0       1.6
          85.0       2.5
          87.0      55.0
          88.0       3.6
          89.0       1.4
          99.0       6.3
         101.0       1.2
         113.0       1.5
         129.0       4.3
         144.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O3 0.044 g : 0.5 ml CDCl3
    DL-2-hydroxy-4-methylvaleric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.3 B 4.296 C 1.85 D 1.63 E 0.964

         Hz     ppm     Int.
    

        652.06   7.281     51
        391.63   4.373     83
        385.25   4.302     91
        384.19   4.290     97
        378.25   4.224     82
        178.13   1.989     27
        171.56   1.916     38
        171.00   1.910     37
        165.38   1.847     33
        165.06   1.844     38
        164.06   1.832     30
        158.56   1.771     34
        158.19   1.767     33
        151.75   1.695    166
        145.56   1.626    167
        138.69   1.549     74
        137.69   1.538     64
         89.31   0.998   1000
         83.13   0.929    903
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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