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818-72-4

1-辛炔-3-醇(818-72-4)核磁图(1HNMR)

产品名称:1-辛炔-3-醇

CAS:818-72-4

分子式:C8H14O

分子量: 126.2

InChI:InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3

InChIKey: VUGRNZHKYVHZSN-UHFFFAOYSA-N

Smiles:C#CC(O)CCCCC

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    Mass

    MS-NW-6624          
    1-octyn-3-ol
    C8H14O              (Mass of molecular ion:    126)
    

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

          15.0       1.6
          18.0       3.2
          26.0       5.1
          27.0      25.4
          28.0       3.2
          29.0      27.4
          31.0       1.6
          38.0       2.1
          39.0      18.2
          40.0       4.1
          41.0      40.9
          42.0      11.7
          43.0     100.0
          44.0       5.8
          45.0       1.8
          50.0       2.0
          51.0       3.9
          52.0       3.3
          53.0       7.5
          54.0       2.7
          55.0      67.1
          56.0      18.9
          57.0       9.0
          58.0       1.3
          63.0       1.0
          65.0       2.9
          66.0       3.4
          67.0       9.9
          68.0       9.3
          69.0       8.1
          70.0      37.9
          71.0      21.2
          72.0       2.8
          77.0       5.4
          78.0       1.7
          79.0      18.2
          80.0       4.4
          81.0       3.4
          82.0       3.8
          83.0      21.5
          84.0       5.8
          91.0       3.3
          93.0      15.5
          94.0       1.3
          95.0       2.2
          96.0       1.0
          97.0       7.3
          98.0       1.1
         107.0       1.5
         111.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H14 O 0.05 ml : 0.5 ml CDCl3
    1-octyn-3-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.370 B 3.3 C 2.466 D 1.71 E 1.457 F 1.32 G 0.899

         Hz     ppm     Int.
    

       1754.27   4.390    135
       1752.20   4.385    140
       1747.56   4.373    248
       1745.48   4.368    259
       1740.84   4.356    135
       1738.77   4.351    137
       1303.96   3.263     71
        986.45   2.469    690
        984.74   2.465    586
        984.38   2.464    715
        698.00   1.747    130
        691.28   1.730    206
        689.94   1.727    164
        684.33   1.713    319
        681.88   1.707    202
        677.25   1.695    315
        675.42   1.691    197
        672.49   1.683     81
        670.17   1.677    167
        664.06   1.662     78
        597.78   1.496     81
        590.70   1.479    191
        588.50   1.473    144
        583.37   1.460    222
        576.42   1.443    155
        574.95   1.439    175
        567.87   1.421     95
        546.14   1.367     84
        542.48   1.358    126
        536.74   1.344    216
        533.08   1.334    416
        531.62   1.331    376
        529.42   1.325    638
        527.34   1.320    446
        525.88   1.316    639
        522.22   1.307    439
        518.68   1.298    226
        517.46   1.295    187
        514.04   1.287    126
        509.16   1.275     74
        366.09   0.917    440
        360.35   0.902    518
        359.01   0.899   1000
        352.05   0.881    426
    

in CDCl3

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liquid film

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