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584-03-2

1,2-丁二醇(584-03-2)Raman光谱

产品名称:1,2-丁二醇

CAS:584-03-2

分子式:C4H10O2

分子量: 90.12

InChI:InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

InChIKey: BMRWNKZVCUKKSR-UHFFFAOYSA-N

Smiles:C(O)C(O)CC

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    Mass

    MS-NW-4362          
    1,2-butanediol
    C4H10O2             (Mass of molecular ion:     90)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       4.2
          18.0       1.0
          26.0       1.9
          27.0       9.1
          28.0       1.4
          29.0       7.5
          31.0      54.1
          32.0       1.0
          33.0       1.1
          39.0       5.2
          41.0      25.1
          42.0       2.3
          43.0      19.5
          44.0       2.7
          45.0       1.8
          55.0       1.5
          57.0       5.6
          58.0      10.3
          59.0     100.0
          60.0       4.1
          61.0      22.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H10 O2 0.04 ml : 0.5 ml CDCl3
    1,2-butanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.97 to 3.22 B 1.45 C 0.965

         Hz     ppm     Int.
    

        344.69   3.849     34
        344.50   3.847     34
        343.63   3.837     38
        341.81   3.817     43
        341.31   3.811     43
        340.38   3.801     46
        340.00   3.797     45
        339.25   3.788     48
        338.88   3.784     49
        338.19   3.777     52
        337.69   3.771     54
        337.44   3.768     54
        330.56   3.691    166
        330.19   3.687    166
        327.88   3.662    170
        327.31   3.655    169
        326.44   3.645    161
        326.06   3.641    161
        325.25   3.632    165
        320.75   3.582    349
        320.44   3.578    348
        314.25   3.509    300
        308.69   3.447     90
        308.06   3.440     89
        307.50   3.434     88
        306.44   3.422     95
        305.75   3.414     99
        305.19   3.408    100
        303.13   3.385    101
        299.31   3.343     37
        298.31   3.331     34
        139.75   1.561     61
        137.88   1.540    128
        135.56   1.514     69
        134.44   1.502     72
        132.19   1.476    169
        130.06   1.453    198
        127.31   1.422     92
        126.69   1.415     95
        124.19   1.387    201
        120.56   1.347     47
        119.13   1.331     56
        117.25   1.310     81
         92.56   1.034    537
         88.31   0.987     52
         85.81   0.959   1000
         79.06   0.883    167
         77.94   0.871    267
         76.44   0.854    147
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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