629-98-1

13-二十二烯醇(629-98-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:13-二十二烯醇

CAS:629-98-1

分子式:C22H44O

分子量: 324.58

InChI:InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-

InChIKey: CFOQKXQWGLAKSK-KTKRTIGZSA-N

Smiles:C(O)CCCCCCCCCCC/C=C\CCCCCCCC

Mass

MS-IW-4083          
cis-13-docosen-1-ol
C22H44O             (Mass of molecular ion:    324)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.0
      27.0       3.6
      28.0       1.3
      29.0      12.2
      31.0       6.3
      39.0       4.0
      41.0      44.4
      42.0       8.4
      43.0      40.6
      44.0       1.7
      53.0       3.8
      54.0      24.0
      55.0      82.9
      56.0      20.2
      57.0      33.1
      58.0       1.6
      65.0       1.1
      66.0       6.2
      67.0      43.8
      68.0      41.5
      69.0      59.1
      70.0      16.6
      71.0      13.8
      72.0       1.1
      77.0       1.0
      79.0       4.3
      80.0       6.0
      81.0      48.2
      82.0     100.0
      83.0      58.9
      84.0      10.3
      85.0       8.5
      86.0       1.0
      93.0       1.6
      94.0       3.4
      95.0      44.6
      96.0      93.7
      97.0      43.8
      98.0       7.0
      99.0       2.3
     108.0       1.5
     109.0      27.9
     110.0      36.0
     111.0      17.3
     112.0       3.9
     113.0       1.2
     122.0       2.4
     123.0      20.3
     124.0      26.4
     125.0       8.1
     126.0       2.4
     136.0       1.6
     137.0      14.2
     138.0      18.3
     139.0       4.4
     140.0       1.6
     151.0       5.6
     152.0      10.4
     153.0       2.6
     154.0       1.1
     165.0       3.2
     166.0       7.0
     167.0       1.8
     179.0       2.2
     180.0       5.2
     181.0       1.2
     193.0       1.7
     194.0       4.4
     195.0       1.0
     207.0       1.4
     208.0       3.8
     221.0       1.1
     222.0       3.5
     235.0       1.0
     236.0       3.4
     249.0       1.6
     250.0       4.2
     263.0       1.2
     264.0       3.0
     278.0       4.4
     306.0      29.9
     307.0       7.3
     324.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₄₄ O	0.031 g : 0.5 ml CDCl₃
cis-13-docosen-1-ol

    Assign.     Shift(ppm)

      A             5.35
      B             3.635
      C             2.013
      D             1.561
      E             1.31
      F             1.27
      G             0.880

     Hz     ppm     Int.

   2142.46   5.361     88
   2137.82   5.350    179
   2136.84   5.347     93
   2133.30   5.338     90
   1459.72   3.653    104
   1453.00   3.636    210
   1446.41   3.620    109
    814.21   2.038     54
    807.74   2.022    146
    802.00   2.007    137
    795.29   1.990     69
    632.57   1.583     50
    625.37   1.565     72
    625.00   1.564     72
    617.92   1.547     69
    530.15   1.327    185
    529.79   1.326    185
    524.90   1.314    228
    505.98   1.267   1000
    359.01   0.899    109
    352.29   0.882    358
    345.34   0.865    137

in CDCl3