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Molecular FormulaC10H18O

Molecular Weight154.25

InChIInChI=1S/C10H18O/c1-5-9(4)8-10(11,6-2)7-3/h2,9,11H,5,7-8H2,1,3-4H3

InChIKey FMLRBVOUYLRDRV-UHFFFAOYSA-N

SmilesC(O)(C#C)(CC)CC(C)CC


  • Mass

    MS-NW-2213          
    3-ethyl-5-methyl-1-heptyn-3-ol
    C10H18O             (Mass of molecular ion:    154)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.0
          26.0       1.6
          27.0       9.9
          29.0      24.5
          39.0       9.8
          40.0       1.6
          41.0      18.1
          42.0       1.9
          43.0      14.6
          51.0       2.6
          53.0       4.3
          55.0      16.6
          56.0       3.8
          57.0      29.7
          58.0       1.3
          65.0       2.0
          67.0       1.7
          68.0       1.5
          69.0      32.1
          70.0       1.9
          71.0       3.9
          72.0       1.9
          77.0       2.8
          79.0       7.6
          80.0       2.4
          81.0       3.5
          82.0       4.6
          83.0     100.0
          84.0       6.1
          91.0       4.3
          93.0       1.9
          95.0       1.3
          97.0       1.1
          98.0       5.8
          99.0       1.7
         105.0       1.3
         107.0       5.6
         121.0       2.2
         125.0      36.0
         126.0       3.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H18 O 0.04 ml : 0.5 ml CDCl3
    3-ethyl-5-methyl-1-heptyn-3-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.446 B 1.95 C 1.84 to 1.19 D 1.05 E 1.00 F 0.88

         Hz     ppm     Int.
    

        219.06   2.446   1000
        174.31   1.947    246
        163.25   1.823     63
        161.75   1.807     70
        158.56   1.771     60
        156.69   1.750     82
        155.06   1.732    200
        154.50   1.726    164
        147.25   1.645    357
        146.00   1.631    137
        144.19   1.610    107
        142.13   1.587    168
        139.94   1.563    133
        138.31   1.545    109
        135.38   1.512     73
        133.81   1.495     45
        130.38   1.456     87
        128.81   1.439     41
        128.25   1.433     51
        125.88   1.406     49
        123.88   1.384     76
        123.06   1.375     54
        122.63   1.370     60
        121.50   1.357     50
        118.19   1.320     41
        117.13   1.308     44
        115.63   1.292     89
        109.38   1.222     53
        108.56   1.213     48
        102.44   1.144     51
        101.06   1.129    158
        100.38   1.121    294
         99.63   1.113    192
         96.63   1.079     41
         93.50   1.044    842
         92.81   1.037    363
         88.56   0.989    344
         88.19   0.985    348
         85.75   0.958    401
         79.63   0.890    212
         78.69   0.879    344
         73.19   0.818     61
         71.81   0.802     98
         70.00   0.782     57
    

CCl4 solution



liquid film



4880 A,100M,liquid



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