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141-22-0

蓖麻油酸(141-22-0)红外图谱(IR1)

产品名称:蓖麻油酸

CAS:141-22-0

分子式:C18H34O3

分子量: 298.46

InChI:InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1

InChIKey: WBHHMMIMDMUBKC-QJWNTBNXSA-N

Smiles:C(O)(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC

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    Mass

    MS-NW-8905          
    (R-(Z))-12-hydroxy-9-octadecenoic acid
    C18H34O3            (Mass of molecular ion:    298)
    

       Source Temperature: 210 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       2.6
          18.0      14.4
          27.0       3.3
          28.0       3.0
          29.0       9.6
          31.0       1.6
          39.0       3.7
          41.0      29.9
          42.0       5.3
          43.0      31.2
          44.0       3.3
          45.0       3.6
          53.0       3.4
          54.0      17.3
          55.0     100.0
          56.0      14.6
          57.0      15.4
          58.0       2.3
          59.0       2.0
          60.0       6.7
          61.0       1.3
          65.0       1.4
          66.0       2.6
          67.0      35.6
          68.0      29.7
          69.0      45.3
          70.0      13.1
          71.0       9.4
          73.0      11.9
          74.0       1.2
          77.0       2.0
          78.0       1.3
          79.0       9.7
          80.0       7.9
          81.0      34.5
          82.0      41.7
          83.0      31.0
          84.0      38.1
          85.0       7.9
          86.0       1.2
          87.0       5.3
          88.0       1.7
          91.0       2.8
          92.0       1.4
          93.0       6.4
          94.0       9.2
          95.0      25.1
          96.0      38.6
          97.0      49.9
          98.0      61.5
          99.0       6.7
         100.0       5.7
         101.0       7.1
         102.0       2.8
         105.0       1.7
         106.0       2.6
         107.0       4.2
         108.0       7.2
         109.0      14.0
         110.0      19.1
         111.0      14.8
         112.0       7.2
         113.0       5.3
         114.0      12.2
         115.0       6.6
         116.0       2.5
         119.0       6.3
         120.0       1.7
         121.0       3.1
         122.0      15.3
         123.0      17.7
         124.0      26.2
         125.0       9.1
         126.0       1.8
         127.0       5.0
         128.0       1.8
         129.0       2.2
         133.0       3.1
         135.0       3.3
         136.0       2.8
         137.0      14.3
         138.0       6.7
         139.0       2.0
         140.0       1.4
         141.0       3.4
         147.0       1.1
         148.0      16.5
         149.0       4.5
         150.0       2.6
         151.0       3.9
         152.0       1.9
         153.0       1.2
         154.0       1.2
         155.0       2.8
         164.0       1.4
         165.0       1.8
         166.0      31.6
         167.0       5.3
         168.0       1.8
         182.0       2.5
         184.0      11.4
         185.0       2.2
         195.0       3.9
         196.0       1.4
         264.0       1.2
         280.0       8.4
         281.0       2.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C18 H34 O3 0.05 ml : 0.5 ml CDCl3
    (R-(Z))-12-hydroxy-9-octadecenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.5 B 5.535 C 5.396 D 3.639 E 2.328 F 2.216 G 2.033 J 1.623 K 1.465 L 1.31 M 0.883 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2218.99   5.553     73
       2209.47   5.529     62
       2208.13   5.526     99
       2170.53   5.432     59
       2164.55   5.417     65
       2163.21   5.413    105
       2161.62   5.409     67
       2155.76   5.395     56
       2153.81   5.390     62
       2152.34   5.386     78
       1458.74   3.651     79
       1452.39   3.635    102
       1446.90   3.621     72
        937.99   2.348    258
        930.54   2.329    462
        922.97   2.310    288
        892.46   2.234    147
        886.11   2.218    254
        879.27   2.201    133
        878.78   2.199    133
        825.07   2.065     72
        819.34   2.051    165
        812.74   2.034    182
        805.91   2.017     94
        662.84   1.659     43
        656.25   1.643    121
        649.17   1.625    181
        641.97   1.607    146
        634.64   1.588     61
        601.32   1.505     43
        596.19   1.492     68
        594.97   1.489     65
        594.60   1.488     64
        591.55   1.481    144
        585.69   1.466    203
        580.08   1.452    132
        575.32   1.440     97
        570.68   1.428     64
        568.48   1.423     61
        562.38   1.408     43
        561.89   1.406     43
        561.16   1.405     43
        560.18   1.402     42
        556.76   1.394     50
        524.17   1.312   1000
        516.48   1.293    653
        514.65   1.288    676
        502.44   1.258    322
        359.62   0.900    221
        357.06   0.894    220
        355.59   0.890    239
        352.91   0.884    697
        350.34   0.877    252
        345.95   0.866    253
    

in CDCl3

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liquid film

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