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Back ChemicalBook Home>CAS DataBase List>555-43-1More Spectrum> Glycerol tristearate(555-43-1) IR3

Glycerol tristearate(555-43-1) IR3

Molecular FormulaC57H110O6

Molecular Weight891.48

InChIInChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3

InChIKey DCXXMTOCNZCJGO-UHFFFAOYSA-N

SmilesC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC


  • Mass

    MS-NW-0609          
    1,2,3-propanetriyl tristearate
    C57H110O6           (Mass of molecular ion:    890)
    

       Source Temperature: 250 °C
       Sample Temperature: 270 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       7.2
          26.0       2.0
          27.0      13.0
          28.0       5.8
          29.0      26.1
          39.0       9.2
          40.0       2.2
          41.0      54.9
          42.0      12.8
          43.0      91.7
          44.0       4.1
          45.0       2.0
          53.0       3.4
          54.0       8.1
          55.0      62.1
          56.0      18.8
          57.0     100.0
          58.0       5.4
          59.0       2.5
          60.0      31.7
          61.0      10.6
          66.0       1.1
          67.0      15.4
          68.0      10.6
          69.0      42.9
          70.0      14.7
          71.0      55.3
          72.0       3.4
          73.0      36.2
          74.0       4.5
          79.0       3.9
          80.0       2.7
          81.0      16.5
          82.0      11.7
          83.0      37.6
          84.0      24.1
          85.0      33.8
          86.0       2.7
          87.0       7.5
          88.0       1.1
          91.0       1.3
          93.0       3.2
          94.0       2.3
          95.0      18.1
          96.0       9.2
          97.0      29.8
          98.0      62.4
          99.0      12.1
         100.0       7.2
         101.0       4.9
         102.0       1.4
         105.0       1.1
         107.0       2.5
         108.0       1.4
         109.0      10.1
         110.0       4.2
         111.0      18.1
         112.0      15.6
         113.0       8.4
         114.0       1.5
         115.0       5.3
         116.0       5.0
         117.0       1.9
         121.0       3.3
         122.0       1.1
         123.0       5.4
         124.0       2.4
         125.0       6.3
         126.0       3.2
         127.0       3.7
         129.0      16.7
         130.0       2.2
         135.0       2.5
         137.0       2.9
         138.0       1.7
         139.0       2.9
         140.0       1.9
         141.0       2.4
         143.0       2.8
         149.0       1.3
         151.0       1.4
         152.0       1.1
         153.0       1.9
         154.0       1.7
         155.0       2.0
         157.0       1.5
         158.0       6.6
         167.0       1.3
         168.0       1.0
         169.0       1.9
         171.0      12.1
         172.0       2.0
         181.0       1.0
         183.0       1.8
         185.0       7.7
         186.0       1.2
         199.0       2.5
         213.0       2.6
         222.0       1.3
         225.0       1.0
         227.0       5.5
         228.0       1.1
         239.0       1.5
         241.0       6.6
         242.0       1.3
         255.0       1.8
         264.0       1.0
         265.0       1.5
         266.0       3.0
         267.0      26.3
         268.0       5.5
         269.0       1.7
         281.0       1.0
         283.0       1.7
         284.0       7.9
         285.0       2.0
         297.0       1.4
         308.0       1.0
         309.0       1.8
         311.0       1.0
         322.0       1.7
         323.0       1.1
         325.0       2.3
         339.0       2.9
         340.0       1.6
         341.0      13.0
         342.0       3.1
         367.0       1.8
         382.0       6.5
         383.0       3.7
         395.0      42.8
         396.0      11.5
         397.0       2.1
         409.0       2.9
         410.0       1.0
         423.0       1.3
         437.0       5.1
         438.0       1.8
         451.0      12.6
         452.0       4.2
         465.0       1.8
         479.0       1.5
         493.0       2.1
         507.0       2.8
         508.0       1.3
         521.0       1.8
         535.0       1.3
         549.0       1.3
         563.0       6.1
         564.0       2.7
         577.0       2.2
         578.0       1.4
         579.0       1.1
         605.0       2.0
         606.0      10.0
         607.0      15.7
         608.0       6.1
         609.0       1.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C57 H110 O6 0.030 g : 0.5 ml CDCl3
    1,2,3-propanetriyl tristearate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.268 B *1 4.294 C *1 4.148 D 2.310 E 1.606 F 1.29 G 1.27 J 1.25 K 0.879 J(A,B)=4.3HZ J(A,C)=6.0HZ J(B,C)=-11.9HZ

         Hz     ppm     Int.
    

       1713.38   4.288     23
       1709.11   4.277     21
       1665.89   4.169     21
       1659.91   4.154     22
        930.42   2.329     32
        925.29   2.316     36
        922.97   2.310     55
        917.72   2.297     23
        915.28   2.291     37
        644.04   1.612     29
        511.11   1.279    106
        501.10   1.254   1000
        358.40   0.897     50
        351.68   0.880    162
        344.60   0.863     62
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



Glycerol tristearate(555-43-1) IR3 Atlas of Related Products

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