111-87-5

辛醇(111-87-5)核磁圖(¹HNMR)

產(chǎn)品名稱:辛醇

CAS:111-87-5

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N

Smiles:C(O)CCCCCCC

Mass

MS2014-05097CW      
1-octanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      14.0       1.1
      18.0       1.0
      26.0       1.1
      27.0      18.8
      28.0       4.4
      29.0      24.4
      31.0      25.3
      32.0       3.3
      39.0      18.6
      40.0       4.0
      41.0      74.3
      42.0      44.1
      43.0      59.1
      44.0       5.0
      45.0       4.0
      51.0       1.3
      53.0       5.7
      54.0       6.4
      55.0      91.0
      56.0     100.0
      57.0      40.8
      58.0       2.0
      65.0       1.1
      67.0       7.5
      68.0      21.2
      69.0      76.5
      70.0      80.4
      71.0      11.0
      73.0       3.4
      79.0       1.0
      81.0       2.9
      82.0      12.3
      83.0      56.4
      84.0      82.6
      85.0       7.1
      95.0       1.0
      97.0       6.1
     100.0       1.1
     112.0       5.0

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
1-octanol

    Assign.     Shift(ppm)

      A             3.604
      B             2.40
      C          1.55 to 1.48
      D             1.29
      E             0.884

     Hz     ppm     Int.

    327.38   3.656     87
    323.31   3.610    156
    317.44   3.545     99
    215.19   2.403    116
    156.38   1.747     30
    156.06   1.743     30
    155.38   1.735     33
    155.06   1.732     33
    154.56   1.726     35
    153.94   1.719     37
    153.19   1.711     39
    152.88   1.708     41
    150.38   1.680     49
    149.06   1.665     58
    146.13   1.632     87
    145.63   1.627     88
    145.31   1.623     88
    145.19   1.622     88
    144.94   1.619     88
    144.56   1.615     88
    139.06   1.553    138
    138.75   1.550    137
    137.44   1.535    130
    137.00   1.530    129
    136.69   1.527    129
    136.38   1.523    128
    136.06   1.520    129
    135.75   1.516    130
    133.69   1.493    141
    132.44   1.479    146
    131.88   1.473    146
    130.69   1.460    144
    115.06   1.285   1000
    100.81   1.126     55
     99.38   1.110     46
     98.81   1.104     44
     98.38   1.099     43
     97.50   1.089     40
     97.00   1.084     39
     96.56   1.079     38
     95.69   1.069     37
     94.94   1.061     35
     94.50   1.056     37
     94.13   1.052     36
     93.69   1.047     35
     93.38   1.043     35
     92.69   1.035     36
     92.31   1.031     36
     92.00   1.028     36
     91.38   1.021     37
     90.94   1.016     38
     84.19   0.941    160
     79.00   0.883    408
     73.19   0.818    112

in CDCl3