3391-86-4

1-辛烯-3-醇(3391-86-4)核磁图(¹³CNMR)

产品名称:1-辛烯-3-醇

CAS:3391-86-4

分子式:C8H16O

分子量: 128.21

InChI:InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

InChIKey: VSMOENVRRABVKN-UHFFFAOYSA-N

Smiles:C=CC(O)CCCCC

Mass

MS-NW-2100          
1-octene-3-ol
C8H16O              (Mass of molecular ion:    128)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       2.2
      27.0       9.3
      28.0       1.4
      29.0      14.2
      31.0       2.9
      39.0       5.8
      40.0       1.0
      41.0      13.5
      42.0       3.1
      43.0      16.4
      44.0       2.5
      53.0       2.4
      54.0      10.4
      55.0       8.6
      56.0       2.9
      57.0     100.0
      58.0       6.8
      67.0       7.3
      68.0       5.8
      69.0       2.3
      70.0       1.0
      71.0       3.6
      72.0      15.7
      73.0       1.6
      81.0       5.7
      82.0       3.5
      83.0       1.1
      85.0       7.1
      95.0       1.7
      99.0       3.5
     110.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
1-octene-3-ol

    Assign.     Shift(ppm)

      A             5.846
      B             5.230
      C             5.099
      D             4.08
      E             1.81
      F             1.47
      G          1.42 to 1.17
      J             0.89

     Hz     ppm     Int.

    543.31   6.067    131
    537.25   5.999    141
    533.25   5.955    169
    527.19   5.887    184
    526.13   5.875    233
    520.00   5.807    251
    516.00   5.762    289
    510.00   5.695    317
    475.69   5.312    252
    474.50   5.299    278
    473.75   5.290    388
    472.63   5.278    369
    462.00   5.159    320
    460.88   5.147    336
    460.06   5.137    251
    459.00   5.126    245
    458.44   5.119    227
    457.25   5.106    220
    456.56   5.098    190
    455.38   5.085    194
    451.94   5.047    208
    450.81   5.034    233
    450.06   5.026    213
    448.94   5.013    208
    375.06   4.188     36
    374.00   4.176     35
    370.13   4.133     85
    369.13   4.122    116
    368.19   4.112     91
    363.00   4.054    126
    359.25   4.012     31
    357.75   3.995     44
    356.81   3.985     48
    355.69   3.972     31
    162.31   1.813   1000
    146.38   1.635     39
    145.50   1.625     37
    144.75   1.617     41
    144.13   1.610     44
    137.63   1.537    131
    136.13   1.520    151
    132.56   1.481    202
    128.56   1.436    287
    126.75   1.416    256
    120.75   1.349    467
    119.56   1.335    535
    116.19   1.298    548
    115.69   1.292    552
    104.75   1.170     55
    104.25   1.165     50
    102.38   1.144     38
    102.00   1.139     38
    101.50   1.134     37
    101.00   1.128     34
    100.13   1.119     32
     84.75   0.947    203
     84.38   0.943    205
     83.06   0.928    182
     82.56   0.922    181
     82.19   0.918    181
     79.69   0.890    764
     73.44   0.821    153
     69.81   0.780     67

in CDCl3