589-62-8

4-辛醇(589-62-8)红外图谱(IR2)

产品名称:4-辛醇

CAS:589-62-8

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3

InChIKey: WOFPPJOZXUTRAU-UHFFFAOYSA-N

Smiles:CCCC(O)CCCC

Mass

MS-NW-1346          
4-octanol
C8H18O              (Mass of molecular ion:    130)

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

      15.0       1.3
      18.0       1.9
      19.0       1.3
      27.0      16.6
      28.0       2.0
      29.0      15.5
      31.0      13.6
      39.0       7.8
      40.0       1.1
      41.0      41.8
      42.0       4.8
      43.0      37.2
      44.0       9.7
      45.0      12.2
      53.0       1.5
      55.0      95.8
      56.0       7.4
      57.0       9.3
      58.0       2.6
      59.0       1.0
      67.0       1.0
      69.0     100.0
      70.0       8.8
      71.0       1.6
      72.0       6.7
      73.0      78.7
      74.0       3.7
      83.0       1.5
      86.0       3.7
      87.0      50.4
      88.0       2.8
     112.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
4-octanol

    Assign.     Shift(ppm)

      A             3.6
      B             1.59
      C          1.55 to 1.11
      D          1.07 to 0.78

     Hz     ppm     Int.

    321.75   3.593     67
    142.25   1.589   1000
    136.75   1.527     76
    136.25   1.522     68
    134.06   1.497    117
    130.44   1.457    395
    129.44   1.446    483
    126.69   1.415    577
    124.13   1.386    853
    120.69   1.348    428
    119.50   1.335    305
    118.44   1.323    303
    117.44   1.312    266
    114.75   1.282    157
    114.00   1.273    172
    113.38   1.266    166
    112.06   1.252    125
    110.25   1.232    114
    109.25   1.220    108
    107.13   1.197     62
    106.50   1.190     55
    106.06   1.185     54
    105.44   1.178     54
    104.63   1.169     59
    102.19   1.142     36
    101.19   1.130     48
    100.56   1.123     41
     98.88   1.105     35
     98.50   1.100     36
     97.50   1.089     31
     96.00   1.072     37
     93.75   1.047     65
     92.69   1.035     82
     90.31   1.009    147
     89.56   1.000    212
     88.06   0.984    267
     86.31   0.964    308
     85.69   0.957    334
     85.06   0.950    336
     83.19   0.929    497
     81.38   0.909    682
     79.56   0.889    294
     77.19   0.862    214
     75.44   0.843    169
     74.06   0.827    112
     73.44   0.821    116
     72.38   0.809     65
     71.56   0.800     60

in CDCl3