506-43-4

順、順-9,12-十八碳二烯醇(506-43-4)核磁圖(¹³CNMR)

產品名稱:順、順-9,12-十八碳二烯醇

CAS:506-43-4

分子式:C18H34O

分子量: 266.46

InChI:InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-

InChIKey: JXNPEDYJTDQORS-HZJYTTRNSA-N

Smiles:C(O)CCCCCCC/C=C\C/C=C\CCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4198          
cis,cis-9,12-octadecadien-1-ol
C18H34O             (Mass of molecular ion:    266)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.6
      27.0       3.5
      28.0       4.4
      29.0       8.8
      31.0       3.6
      32.0       1.4
      39.0       4.6
      41.0      29.9
      42.0       3.7
      43.0      21.3
      44.0       1.3
      53.0       5.0
      54.0      39.3
      55.0      50.2
      56.0       6.4
      57.0      11.4
      58.0       5.4
      59.0       2.5
      65.0       3.3
      66.0       8.5
      67.0     100.0
      68.0      54.6
      69.0      31.9
      70.0       6.2
      71.0       8.7
      72.0       1.2
      77.0       5.6
      78.0       3.8
      79.0      33.5
      80.0      30.1
      81.0      95.4
      82.0      77.2
      83.0      22.8
      84.0       6.2
      85.0       6.1
      86.0       1.3
      91.0       5.9
      92.0       1.8
      93.0      23.1
      94.0      16.9
      95.0      67.8
      96.0      59.3
      97.0      17.9
      98.0      14.1
      99.0       2.6
     105.0       1.6
     107.0      13.4
     108.0       9.7
     109.0      29.3
     110.0      29.5
     111.0       9.1
     112.0       4.5
     121.0      21.4
     122.0       7.8
     123.0      12.1
     124.0      14.4
     125.0       3.5
     126.0       1.6
     135.0      13.2
     136.0       6.4
     137.0       6.2
     138.0       7.5
     139.0       1.8
     140.0       1.1
     149.0       5.5
     150.0       3.2
     151.0       2.8
     152.0       4.5
     153.0       1.2
     163.0       2.4
     164.0       1.3
     165.0       1.5
     166.0       3.0
     177.0       1.2
     180.0       1.1
     248.0       2.2
     266.0       5.8
     267.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₃₄ O	0.05 ml : 0.5 ml CDCl₃
cis,cis-9,12-octadecadien-1-ol

    Assign.     Shift(ppm)

      A             5.36
      B             3.619
      C             2.773
      D             2.050
      E             1.95
      F             1.558
      G             1.26
      J             0.891

     Hz     ppm     Int.

   2151.37   5.384    117
   2146.61   5.372    213
   2146.00   5.370    205
   2144.41   5.366    239
   2140.75   5.357    353
   2138.67   5.352    167
   2135.25   5.343    333
   2128.54   5.327    136
   2127.56   5.324    125
   1453.25   3.637    327
   1446.53   3.620    643
   1439.82   3.603    342
   1115.23   2.791    147
   1108.52   2.774    308
   1102.17   2.758    178
    829.83   2.077    164
    823.12   2.060    436
    816.16   2.043    455
    809.45   2.026    186
    780.27   1.953     71
    629.76   1.576    121
    622.80   1.559    184
    615.60   1.541    155
    548.71   1.373    221
    542.60   1.358    372
    541.50   1.355    353
    535.16   1.340    458
    523.68   1.311    984
    520.87   1.304   1000
    514.16   1.287    384
    511.35   1.280    252
    507.81   1.271    135
    363.04   0.909    293
    356.20   0.892    715
    349.24   0.874    321

in CDCl3