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616-25-1

1-戊烯-3-醇(616-25-1)红外图谱(IR1)

产品名称:1-戊烯-3-醇

CAS:616-25-1

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3

InChIKey: VHVMXWZXFBOANQ-UHFFFAOYSA-N

Smiles:C=CC(O)CC

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    Mass

    MS-NW-5671          
    1-penten-3-ol
    C5H10O              (Mass of molecular ion:     86)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       2.3
          27.0      10.9
          28.0       2.6
          29.0      20.0
          30.0       1.0
          31.0      10.4
          39.0       5.2
          40.0       1.6
          41.0       7.6
          42.0       1.0
          43.0       5.4
          44.0       2.5
          45.0       2.2
          53.0       2.8
          55.0       3.7
          57.0     100.0
          58.0       4.8
          59.0       3.6
          67.0       1.9
          68.0       1.9
          71.0       2.1
          85.0       1.3
          86.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H10 O 0.04 ml : 0.5 ml CDCl3
    1-penten-3-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.837 B 5.225 C 5.107 D 4.019 E 2.02 F 1.549 G 0.928 J(A,B)=17.3HZ, J(A,C)=10.1HZ, J(A,D)=6.0HZ, J(B,C)=1.9HZ, J(B,D)=J(B,C)=1.1HZ

         Hz     ppm     Int.
    

        542.69   6.060    117
        536.63   5.992    121
        532.63   5.948    145
        526.63   5.881    152
        525.44   5.867    204
        519.38   5.800    215
        515.31   5.754    260
        509.38   5.688    287
        476.19   5.317    223
        474.94   5.304    240
        474.19   5.295    352
        473.06   5.283    344
        463.31   5.174    285
        462.19   5.161    305
        461.31   5.151    212
        460.31   5.140    209
        458.94   5.125    175
        457.69   5.111    189
        456.94   5.103    160
        455.81   5.090    177
        453.25   5.061    187
        452.06   5.048    208
        451.31   5.040    187
        450.19   5.027    189
        370.56   4.138     37
        369.63   4.128     70
        368.38   4.114     46
        364.38   4.069     90
        363.31   4.057    178
        362.19   4.045    104
        358.13   3.999     87
        357.19   3.989    169
        356.00   3.975    101
        351.94   3.930     37
        350.88   3.918     65
        349.63   3.904     39
        181.25   2.024    877
        155.38   1.735     52
        153.94   1.719     64
        149.13   1.666     63
        148.75   1.661     68
        147.19   1.644    221
        146.56   1.637    195
        142.63   1.593     59
        140.88   1.574    267
        140.00   1.564    224
        139.44   1.557    368
        135.00   1.508     79
        134.25   1.499     86
        133.06   1.486    469
        132.06   1.475    146
        126.81   1.416    118
        125.75   1.405    122
         90.56   1.012    272
         89.75   1.003    573
         89.13   0.996    399
         82.81   0.925   1000
         82.13   0.918    595
         75.88   0.848    181
         75.13   0.839    337
         73.94   0.826    211
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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