Product Name3-ETHYL-5-METHYL-1-HEPTYN-3-OL

CAS

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

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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

    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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