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返回ChemicalBook首页>CAS数据库列表>3687-45-4更多图谱> (Z)-9-十八烯酸-(Z)-9-十八烯酯 (3687-45-4)核磁图(1HNMR)

(Z)-9-十八烯酸-(Z)-9-十八烯酯 (3687-45-4)核磁图(1HNMR)

分子式:C36H68O2

分子量: 532.92

InChI:InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-

InChIKey: BARWIPMJPCRCTP-CLFAGFIQSA-N

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


  • Mass

    MS-IW-4794          
    cis-9-octadecenyl oleate
    C36H68O2            (Mass of molecular ion:    532)
    

       Source Temperature: 170 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          27.0       3.8
          28.0       1.2
          29.0      12.1
          39.0       3.6
          41.0      42.6
          42.0       8.2
          43.0      53.3
          44.0       1.9
          53.0       3.5
          54.0      26.8
          55.0     100.0
          56.0      20.4
          57.0      56.3
          58.0       2.6
          60.0       1.0
          65.0       1.0
          66.0       4.4
          67.0      56.0
          68.0      36.3
          69.0      96.7
          70.0      21.6
          71.0      27.7
          72.0       1.6
          73.0       3.0
          77.0       1.3
          78.0       1.0
          79.0       8.3
          80.0      11.0
          81.0      61.9
          82.0      81.7
          83.0      95.2
          84.0      17.9
          85.0      18.1
          86.0       1.2
          87.0       1.9
          91.0       2.2
          92.0       1.0
          93.0       6.3
          94.0       8.5
          95.0      56.9
          96.0      83.5
          97.0      78.1
          98.0      20.6
          99.0       6.4
         100.0       1.3
         101.0       4.1
         105.0       1.4
         107.0       4.6
         108.0       6.5
         109.0      36.3
         110.0      42.8
         111.0      40.6
         112.0       8.4
         113.0       4.2
         114.0       2.8
         115.0       4.3
         119.0       1.9
         120.0       1.0
         121.0      12.2
         122.0       8.4
         123.0      28.3
         124.0      34.3
         125.0      21.3
         126.0       4.9
         127.0       5.2
         128.0       1.2
         129.0       4.3
         133.0       2.4
         134.0       1.9
         135.0       9.4
         136.0       8.1
         137.0      22.0
         138.0      24.6
         139.0      12.2
         140.0       3.6
         141.0       2.8
         143.0       3.2
         147.0       2.5
         148.0       1.6
         149.0       5.8
         150.0       7.3
         151.0      13.1
         152.0      18.2
         153.0       8.8
         154.0       3.1
         155.0       2.8
         157.0       2.7
         161.0       1.6
         163.0       3.9
         164.0       5.7
         165.0      10.4
         166.0      13.9
         167.0       7.1
         168.0       3.7
         169.0       2.9
         171.0       2.2
         175.0       1.1
         177.0       2.4
         178.0       4.8
         179.0       7.6
         180.0      10.9
         181.0       6.3
         182.0       2.7
         183.0       2.1
         185.0       2.5
         191.0       1.5
         192.0       2.2
         193.0       5.9
         194.0       7.9
         195.0       4.2
         196.0       1.8
         197.0       1.4
         199.0       2.3
         205.0       1.1
         206.0       1.6
         207.0       4.6
         208.0       5.9
         209.0       3.0
         210.0       1.5
         211.0       1.1
         213.0       1.6
         219.0       1.0
         220.0       7.6
         221.0       5.7
         222.0      10.6
         223.0       3.4
         224.0       1.4
         227.0       1.1
         234.0       2.3
         235.0       2.6
         236.0       2.0
         237.0       2.1
         238.0       1.3
         239.0       1.1
         245.0       2.2
         246.0       2.3
         247.0       4.8
         248.0      34.5
         249.0      10.7
         250.0      57.8
         251.0      12.8
         252.0       2.4
         253.0       1.0
         262.0      22.0
         263.0       9.3
         264.0      30.3
         265.0      33.9
         266.0       8.7
         267.0       4.1
         277.0       1.0
         278.0       1.2
         279.0       8.1
         280.0       8.7
         281.0       3.3
         282.0       3.6
         283.0      16.2
         284.0       3.4
         285.0       1.5
         293.0       1.4
         294.0       2.2
         295.0       1.3
         296.0       1.0
         307.0       1.5
         308.0       2.1
         309.0       1.0
         321.0       1.2
         322.0       2.0
         323.0       1.1
         335.0       1.2
         336.0       1.9
         349.0       1.2
         350.0       2.2
         363.0       1.3
         364.0       2.5
         377.0       1.8
         378.0       3.7
         379.0       1.4
         391.0       2.0
         392.0       5.4
         393.0       1.9
         405.0       2.5
         406.0       7.2
         407.0       2.5
         419.0       2.5
         420.0       6.8
         421.0       2.4
         433.0       2.3
         434.0       5.3
         435.0       1.8
         447.0       1.7
         448.0       3.7
         449.0       1.3
         461.0       1.3
         462.0       2.4
         476.0       1.5
         532.0      42.8
         533.0      18.6
         534.0       4.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C36 H68 O2 0.05 ml : 0.5 ml CDCl3
    cis-9-octadecenyl oleate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.34 B 4.053 C 2.284 D 2.008 E 1.616 F 1.30 G 1.27 J 0.880

         Hz     ppm     Int.
    

       2141.36   5.359    117
       2140.63   5.357    119
       2139.53   5.354    114
       2137.82   5.350    144
       2135.74   5.345    279
       2135.01   5.343    249
       2134.28   5.341    230
       2132.20   5.336    145
       2131.35   5.334    124
       2130.25   5.331    123
       2128.66   5.327     96
       1626.83   4.071    143
       1620.00   4.054    306
       1613.28   4.037    151
        920.65   2.304    143
        913.21   2.286    236
        905.52   2.266    160
        806.88   2.019    309
        800.66   2.004    297
        794.56   1.989    135
        651.61   1.631    100
        645.26   1.615    145
        638.31   1.598    111
        632.93   1.584     35
        631.10   1.580     40
        521.24   1.305    983
        507.20   1.270   1000
        358.76   0.898    254
        352.05   0.881    792
        344.97   0.864    304
    

in CDCl3



liquid film



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