正己醇(111-27-3)紅外圖譜(IR1)

產(chǎn)品名稱:正己醇

CAS:111-27-3

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Smiles:C(O)CCCCC

Mass

MS-NW-0547          
hexyl alcohol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      18.0       2.6
      26.0       1.0
      27.0      14.9
      28.0       3.1
      29.0      19.8
      31.0      23.7
      39.0       8.5
      40.0       1.9
      41.0      36.0
      42.0      43.4
      43.0      59.0
      44.0       2.1
      45.0       2.9
      53.0       1.5
      54.0       2.7
      55.0      48.9
      56.0     100.0
      57.0       7.1
      69.0      25.1
      70.0       3.4
      71.0       1.7
      73.0       1.3
      83.0       1.5
      84.0       8.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
hexyl alcohol

    Assign.     Shift(ppm)

      A             3.624
      B             1.79
      C             1.56
      D             1.32
      E             0.90

     Hz     ppm     Int.

    331.25   3.699    136
    328.31   3.666     37
    324.75   3.627    440
    318.38   3.555    210
    160.38   1.791   1000
    148.31   1.656     31
    146.63   1.638     52
    145.38   1.624     44
    144.94   1.619     44
    144.19   1.610     41
    143.38   1.601     42
    140.44   1.569     84
    139.25   1.555     78
    138.81   1.550     78
    137.13   1.532     62
    134.31   1.500     85
    133.69   1.493     81
    133.13   1.487     84
    131.94   1.474     71
    129.44   1.446     90
    127.50   1.424    115
    125.31   1.400    133
    125.00   1.396    134
    121.19   1.354    250
    120.88   1.350    250
    119.56   1.335    317
    118.69   1.326    311
    118.06   1.319    324
    116.88   1.306    320
    115.69   1.292    328
    108.69   1.214     62
     87.31   0.975     71
     85.50   0.955    116
     83.13   0.929     96
     80.06   0.894    436
     75.69   0.846     62
     74.06   0.827     82
     73.13   0.817     70
     72.56   0.811     73
     70.06   0.783     31

in CDCl3