140-03-4

乙酰蓖麻油甲酯(140-03-4)核磁圖(¹HNMR)

分子式:C21H38O4

分子量: 354.52

InChI:InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1

InChIKey: CMOYPQWMTBSLJK-ACQXMXPUSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6349          
methyl (R)-cis-12-acetoxy-9-octadecenoate
C21H38O4            (Mass of molecular ion:    354)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.2
      27.0       1.5
      29.0       3.9
      39.0       1.8
      41.0      13.1
      42.0       1.9
      43.0      85.9
      44.0       2.5
      45.0       1.8
      53.0       2.1
      54.0       8.6
      55.0      23.1
      56.0       2.2
      57.0       4.2
      59.0       4.4
      60.0       1.4
      66.0       1.5
      67.0      25.3
      68.0      14.1
      69.0      14.2
      70.0       1.8
      71.0       2.4
      73.0       1.2
      74.0       9.9
      75.0       1.5
      77.0       1.5
      79.0       7.5
      80.0       7.7
      81.0      28.0
      82.0      22.9
      83.0      11.9
      84.0       7.4
      85.0       3.2
      87.0       6.8
      91.0       2.1
      93.0       5.1
      94.0       8.2
      95.0      23.1
      96.0      26.8
      97.0      19.1
      98.0      10.3
      99.0       1.8
     101.0       1.8
     105.0       1.3
     106.0       1.2
     107.0       4.0
     108.0       6.3
     109.0      14.1
     110.0      17.3
     111.0       6.3
     112.0       1.7
     113.0       2.3
     114.0       1.0
     115.0       3.2
     119.0       1.8
     120.0       1.3
     121.0       5.2
     122.0       6.5
     123.0      10.9
     124.0      16.3
     125.0       4.6
     126.0       1.0
     127.0       1.1
     128.0       1.2
     129.0       2.5
     132.0       1.1
     133.0       1.8
     135.0       6.0
     136.0       7.7
     137.0       8.1
     138.0      10.2
     139.0       2.4
     140.0       1.5
     141.0       2.0
     143.0       2.4
     147.0       2.3
     148.0       2.3
     149.0       5.4
     150.0      19.2
     151.0       7.7
     152.0       6.8
     153.0       1.9
     154.0       2.4
     155.0       1.8
     157.0       1.8
     163.0       3.2
     164.0      10.1
     165.0       6.2
     166.0      10.1
     167.0       2.9
     168.0       3.3
     169.0       1.0
     173.0       1.1
     177.0       2.3
     178.0       6.8
     179.0       3.2
     180.0       3.4
     181.0       2.2
     182.0       4.1
     183.0       1.2
     187.0       1.4
     190.0       1.3
     191.0       1.6
     192.0       2.6
     193.0       1.6
     195.0       2.9
     196.0       4.6
     206.0       1.3
     208.0       7.1
     209.0       2.9
     210.0       3.0
     220.0       6.1
     221.0       1.5
     222.0       2.1
     223.0       1.8
     224.0       2.6
     227.0       1.4
     234.0       2.1
     237.0       1.2
     238.0       1.3
     240.0       2.4
     251.0       1.0
     262.0      24.6
     263.0      21.4
     264.0       5.4
     265.0       1.8
     279.0       1.1
     294.0     100.0
     295.0      23.0
     296.0       3.5
     298.0       1.1
     323.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₃₈ O₄	0.05 ml : 0.5 ml CDCl₃
methyl (R)-cis-12-acetoxy-9-octadecenoate

    Assign.     Shift(ppm)

      A             5.467
      B             5.328
      C             4.872
      D             3.662
      E             2.30
      F             2.29
      G             2.025
      J             2.02
      K             1.620
      L             1.523
      M             1.31
      N             1.27
      P             0.879

     Hz     ppm     Int.

   2191.16   5.483     31
   2180.18   5.456     44
   2134.89   5.342     53
   2133.54   5.339     37
   2124.02   5.315     33
   1953.86   4.889     47
   1947.63   4.874     70
   1941.41   4.858     48
   1463.75   3.663    981
    927.37   2.321    128
    922.73   2.309     55
    919.92   2.302    223
    917.24   2.296    102
    912.23   2.283    173
    910.40   2.278     94
    904.30   2.263     36
    903.08   2.260     37
    816.89   2.045     53
    809.57   2.026   1000
    805.91   2.017    103
    805.18   2.015    103
    798.10   1.997     41
    654.42   1.638     48
    647.34   1.620     71
    642.82   1.609     44
    640.14   1.602     54
    616.70   1.544     63
    610.47   1.528     69
    606.08   1.517     34
    605.71   1.516     34
    603.76   1.511     32
    522.22   1.307    476
    514.16   1.287    237
    511.35   1.280    241
    507.81   1.271    292
    503.78   1.261    255
    357.79   0.896    101
    356.08   0.891     94
    351.07   0.879    303
    344.12   0.862    122

in CDCl3