13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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620-64-4

三花生精(620-64-4)核磁圖(13CNMR)

產(chǎn)品名稱:三花生精

CAS:620-64-4

分子式:C63H122O6

分子量: 975.64

InChI:InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3

InChIKey: KCVWRCXEUJUXIG-UHFFFAOYSA-N

Smiles:C(OC(=O)CCCCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC

  • 圖譜
    Mass

    MS-IW-5078          
    1,2,3-propanetriyl triicosanoate
    C63H122O6           (Mass of molecular ion:    974)
    

       Source Temperature: 190 °C
       Sample Temperature: 250 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       9.8
          26.0       6.1
          27.0      12.4
          28.0      25.6
          29.0      17.3
          38.0       1.5
          39.0      12.2
          40.0       3.9
          41.0      52.0
          42.0      15.7
          43.0      73.9
          44.0       4.6
          45.0       1.7
          51.0       1.3
          52.0       1.1
          53.0       4.6
          54.0      10.8
          55.0      83.3
          56.0      27.5
          57.0      88.8
          58.0       6.4
          59.0       2.3
          60.0      26.7
          61.0      10.9
          65.0       1.8
          66.0       2.4
          67.0      21.7
          68.0      14.9
          69.0      53.1
          70.0      23.4
          71.0      60.5
          72.0       4.1
          73.0      36.8
          74.0       3.9
          77.0       2.2
          78.0       2.0
          79.0       7.1
          80.0       5.8
          81.0      24.0
          82.0      18.7
          83.0      54.4
          84.0      34.7
          85.0      40.8
          86.0       3.4
          87.0       9.4
          88.0       1.4
          91.0       3.9
          92.0       2.1
          93.0       5.0
          94.0       4.2
          95.0      21.9
          96.0      15.1
          97.0      47.2
          98.0     100.0
          99.0      18.1
         100.0       7.0
         101.0       6.2
         102.0       2.1
         105.0       1.6
         107.0       3.7
         108.0       2.1
         109.0      13.0
         110.0       6.4
         111.0      29.2
         112.0      26.1
         113.0      13.3
         114.0       1.8
         115.0       7.5
         116.0       6.2
         117.0       2.5
         119.0       1.0
         121.0       4.8
         122.0       1.5
         123.0       7.4
         124.0       3.9
         125.0      11.5
         126.0       4.9
         127.0       5.4
         128.0       1.2
         129.0      22.7
         130.0       3.0
         135.0       3.8
         136.0       1.2
         137.0       4.3
         138.0       2.7
         139.0       5.2
         140.0       2.7
         141.0       3.3
         143.0       3.6
         144.0       1.1
         149.0       2.0
         151.0       1.8
         152.0       1.8
         153.0       2.9
         154.0       2.5
         155.0       3.0
         157.0       3.8
         158.0       5.5
         159.0       1.1
         163.0       1.1
         165.0       1.0
         166.0       1.3
         167.0       1.8
         168.0       1.5
         169.0       2.9
         171.0      11.8
         172.0       2.2
         181.0       1.4
         182.0       1.1
         183.0       2.3
         185.0       7.9
         186.0       1.3
         194.0       1.0
         195.0       1.0
         196.0       1.0
         197.0       1.4
         199.0       2.5
         211.0       1.1
         213.0       6.2
         214.0       1.3
         224.0       1.1
         227.0       6.7
         228.0       1.1
         241.0       2.7
         250.0       1.3
         255.0       2.1
         269.0       7.2
         270.0       1.5
         283.0       2.1
         293.0       1.2
         294.0       2.8
         295.0      20.5
         296.0       4.7
         297.0       1.0
         311.0       1.0
         312.0      14.1
         313.0       3.4
         353.0       2.4
         367.0       1.6
         368.0       1.1
         369.0       9.4
         370.0       2.5
         410.0       3.3
         411.0       2.2
         423.0      14.0
         424.0       4.2
         437.0       1.0
         465.0       1.4
         479.0       2.5
         480.0       1.5
         619.0       1.1
         663.0       4.1
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C63 H122 O6 0.032 g : 0.5 ml CDCl3
    1,2,3-propanetriyl triicosanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.270 B *1 4.294 C *1 4.148 D 2.311 E 1.609 F 1.28 G 1.26 J 0.879

         Hz     ppm     Int.
    

        930.42   2.329     31
        925.17   2.315     34
        922.97   2.310     51
        917.72   2.297     22
        915.28   2.291     33
        642.21   1.607     25
        526.61   1.318     34
        514.16   1.287    107
        501.22   1.255   1000
        489.87   1.226     40
        488.89   1.224     40
        358.28   0.897     50
        351.56   0.880    140
        344.60   0.863     58
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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