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506-37-6

神经酸(506-37-6)核磁图(1HNMR)

产品名称:神经酸

CAS:506-37-6

分子式:C24H46O2

分子量: 366.62

InChI:InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

InChIKey: GWHCXVQVJPWHRF-KTKRTIGZSA-N

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

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    Mass

    MS-KW-0185          
    cis-15-tetracosenoic acid
    C24H46O2            (Mass of molecular ion:    366)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.7
          18.0       8.6
          27.0       3.9
          28.0       3.0
          29.0      14.0
          39.0       4.0
          41.0      45.6
          42.0       9.2
          43.0      57.2
          44.0       2.6
          45.0       2.9
          53.0       3.1
          54.0      17.6
          55.0     100.0
          56.0      34.1
          57.0      58.6
          58.0       2.6
          59.0       2.2
          60.0      10.4
          61.0       2.4
          65.0       1.2
          66.0       1.9
          67.0      24.7
          68.0      19.0
          69.0      83.5
          70.0      36.8
          71.0      29.2
          72.0       1.6
          73.0      13.8
          74.0       1.3
          77.0       1.1
          79.0       3.7
          80.0       4.1
          81.0      23.6
          82.0      28.5
          83.0      79.9
          84.0      37.8
          85.0      18.0
          86.0       1.3
          87.0       4.6
          91.0       1.3
          93.0       2.6
          94.0       4.4
          95.0      18.1
          96.0      29.9
          97.0      72.4
          98.0      34.5
          99.0       7.8
         100.0       3.3
         101.0       6.4
         102.0       1.0
         105.0       1.0
         107.0       2.4
         108.0       3.6
         109.0      11.3
         110.0      17.5
         111.0      38.7
         112.0      14.6
         113.0       5.5
         114.0       7.3
         115.0       5.9
         116.0       1.9
         119.0       1.9
         121.0       3.9
         122.0       2.7
         123.0       9.5
         124.0      11.7
         125.0      21.3
         126.0       9.1
         127.0       8.2
         128.0       2.2
         129.0       6.4
         130.0       1.1
         133.0       2.1
         134.0       3.2
         135.0       4.4
         136.0       2.1
         137.0       8.6
         138.0       9.9
         139.0      12.8
         140.0       6.1
         141.0       3.2
         142.0       1.1
         143.0       3.2
         147.0       1.9
         148.0       3.0
         149.0       3.3
         150.0       1.7
         151.0       6.5
         152.0       8.1
         153.0       9.0
         154.0       6.3
         155.0       2.6
         157.0       2.4
         161.0       1.5
         162.0       1.2
         163.0       2.2
         164.0       1.1
         165.0       4.7
         166.0       5.2
         167.0       5.5
         168.0       3.5
         169.0       2.3
         171.0       2.3
         175.0       1.3
         177.0       1.4
         179.0       3.6
         180.0       4.0
         181.0       4.0
         182.0       2.7
         183.0       1.7
         185.0       2.2
         189.0       1.0
         191.0       1.0
         193.0       3.0
         194.0       3.8
         195.0       3.3
         196.0       2.3
         197.0       1.3
         199.0       1.3
         207.0       3.1
         208.0       4.2
         209.0       2.6
         210.0       2.0
         211.0       1.3
         213.0       1.2
         221.0       3.3
         222.0       4.5
         223.0       2.1
         224.0       1.6
         225.0       1.2
         227.0       1.1
         235.0       3.6
         236.0       4.6
         237.0       1.7
         238.0       1.3
         239.0       1.0
         249.0       3.8
         250.0       5.0
         251.0       1.8
         252.0       1.1
         253.0       1.1
         263.0       3.6
         264.0       5.5
         265.0       1.7
         277.0       3.4
         278.0       3.4
         279.0       1.1
         291.0       2.7
         292.0       2.4
         304.0       2.3
         305.0       3.0
         306.0       2.8
         307.0       1.1
         319.0       1.5
         320.0       1.9
         330.0       2.1
         348.0      41.2
         349.0      11.4
         350.0       1.7
         366.0       4.3
         367.0       1.2
         368.0       3.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C24 H46 O2 0.034 g : 0.5 ml CDCl3
    cis-15-tetracosenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.35 B 2.345 C 2.013 D 1.631 E 1.26 F 0.881

         Hz     ppm     Int.
    

       2141.97   5.360     89
       2138.43   5.351     95
       2137.45   5.349    169
       2136.35   5.346     98
       2132.81   5.337     86
        944.82   2.365     93
        937.38   2.346    165
        929.81   2.327    102
        814.09   2.038     60
        807.37   2.021    146
        801.76   2.007    135
        795.17   1.990     65
        658.69   1.649     49
        651.49   1.631     72
        644.04   1.612     56
        537.60   1.346    114
        529.91   1.326    200
        519.04   1.299    323
        518.43   1.298    323
        518.07   1.297    324
        503.17   1.260   1000
        358.76   0.898    113
        354.74   0.888     64
        352.05   0.881    344
        344.97   0.864    132
    

in CDCl3

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KBr disk

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Nujol

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