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5343-92-0

1,2-戊二醇(5343-92-0)核磁图(13CNMR)

产品名称:1,2-戊二醇

CAS:5343-92-0

分子式:C5H12O2

分子量: 104.15

InChI:InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3

InChIKey: WCVRQHFDJLLWFE-UHFFFAOYSA-N

Smiles:C(O)C(O)CCC

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    Mass

    MS-IW-5560          
    1,2-pentanediol
    C5H12O2             (Mass of molecular ion:    104)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.9
          18.0       1.6
          19.0       2.8
          27.0       9.8
          28.0       2.4
          29.0      14.0
          31.0      23.6
          32.0       1.0
          33.0       1.0
          39.0       5.6
          41.0      14.0
          42.0       2.9
          43.0      49.2
          44.0       9.7
          45.0       7.7
          53.0       1.6
          55.0     100.0
          56.0       6.8
          57.0       7.4
          58.0       3.0
          60.0       2.0
          61.0      26.2
          67.0       1.0
          69.0       2.5
          71.0       1.3
          72.0      10.2
          73.0      80.2
          74.0       3.7
          87.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H12 O2 0.05 ml : 0.5 ml CDCl3
    1,2-pentanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.46 B 4.32 C 3.67 D *1 3.59 E *1 3.40 F *2 1.46 G 1.38 J *2 1.35 K 0.93 J(B,C)=4.2HZ

         Hz     ppm     Int.
    

       1782.10   4.460    176
       1777.71   4.449    101
       1729.25   4.327    203
       1725.10   4.317    200
       1468.99   3.676    113
       1466.43   3.670    115
       1466.19   3.669    115
       1443.36   3.612     74
       1441.04   3.606     89
       1440.43   3.605     89
       1438.84   3.601     93
       1436.16   3.594     76
       1432.13   3.584    100
       1429.57   3.578    116
       1427.61   3.573    115
       1367.80   3.423     83
       1366.09   3.419     73
       1363.89   3.413     90
       1359.99   3.403     89
       1356.32   3.394    128
       1352.91   3.386     78
       1348.75   3.375     64
       1344.73   3.365     55
        601.32   1.505     33
        599.24   1.500     34
        597.90   1.497     32
        594.36   1.488     79
        592.04   1.482     70
        589.23   1.475    104
        587.16   1.470     70
        584.72   1.464     70
        581.91   1.457    137
        579.35   1.450     86
        574.46   1.438     92
        572.88   1.434    132
        572.14   1.432    134
        566.77   1.419    140
        564.45   1.413    104
        558.59   1.398    259
        553.47   1.385    337
        551.39   1.380    333
        549.93   1.377    216
        548.22   1.372    276
        545.53   1.366    339
        543.82   1.361    191
        541.99   1.357    126
        540.41   1.353    144
        537.84   1.346    107
        536.87   1.344    115
        535.03   1.339     90
        532.47   1.333     64
        531.01   1.329     86
        528.08   1.322     62
        523.93   1.311     32
        377.81   0.946    561
        370.85   0.928   1000
        367.07   0.919    313
        365.23   0.914    255
        363.53   0.910    384
    

in CDCl3

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liquid film

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