反9-十八烯醇(506-42-3)紅外圖譜(IR2)

產(chǎn)品名稱:反9-十八烯醇

CAS:506-42-3

分子式:C18H36O

分子量: 268.48

InChI:InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+

InChIKey: ALSTYHKOOCGGFT-MDZDMXLPSA-N

Smiles:C(O)CCCCCCC/C=C/CCCCCCCC

¹HNMR

IR1

IR2

Mass

MS-IW-4093          
trans-9-octadecen-1-ol
C18H36O             (Mass of molecular ion:    268)

   Source Temperature: 130 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       6.8
      28.0       2.0
      29.0      18.9
      31.0      11.3
      39.0       6.7
      40.0       1.4
      41.0      56.5
      42.0      10.3
      43.0      46.3
      44.0       2.5
      45.0       1.4
      53.0       5.3
      54.0      36.2
      55.0      88.8
      56.0      22.6
      57.0      32.2
      58.0       1.7
      65.0       1.4
      66.0       7.7
      67.0      63.0
      68.0      52.6
      69.0      58.1
      70.0      16.9
      71.0      13.1
      72.0       1.2
      77.0       1.1
      79.0       5.1
      80.0       5.9
      81.0      60.0
      82.0     100.0
      83.0      49.5
      84.0       8.8
      85.0       7.5
      86.0       1.1
      93.0       1.8
      94.0       3.1
      95.0      50.1
      96.0      78.2
      97.0      30.1
      98.0       5.4
      99.0       2.0
     108.0       1.3
     109.0      26.0
     110.0      29.7
     111.0      10.7
     112.0       2.5
     122.0       1.3
     123.0      15.2
     124.0      18.5
     125.0       4.6
     126.0       1.4
     137.0       9.1
     138.0      10.5
     139.0       2.0
     151.0       3.3
     152.0       5.4
     153.0       1.0
     165.0       1.6
     166.0       3.3
     179.0       1.0
     180.0       2.4
     193.0       1.4
     194.0       2.9
     208.0       1.5
     222.0       2.9
     250.0      14.1
     251.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₃₆ O	0.038 g : 0.5 ml CDCl₃
trans-9-octadecen-1-ol

    Assign.     Shift(ppm)

      A             5.383
      B             3.631
      C             1.962
      D             1.58
      E             1.56
      F             1.33
      G             1.29
      J             1.26
      K             0.879

     Hz     ppm     Int.

   2156.62   5.397     92
   2154.91   5.392    136
   2152.71   5.387    143
   2151.37   5.384    280
   2150.15   5.381    142
   2147.83   5.375    133
   2146.12   5.370     90
   1458.01   3.649    272
   1451.42   3.632    563
   1444.70   3.615    291
    793.46   1.986     97
    787.48   1.971    223
    782.47   1.958    209
    776.12   1.942    111
    775.27   1.940    109
    631.35   1.580    132
    624.15   1.562    133
    616.70   1.544    114
    609.99   1.527     45
    525.39   1.315    361
    524.29   1.312    362
    515.50   1.290    545
    512.94   1.284    502
    505.13   1.264   1000
    358.40   0.897    189
    351.68   0.880    604
    344.60   0.863    234

KBr disc